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CAS 1000342-80-2 6-Chloro-1,3-dihydro-2H-pyrrolo[3,2-c]pyridin-2-one molecular structure lightbox
CAS RN: 1000342-80-2

6-Chloro-1,3-dihydro-2H-pyrrolo[3,2-c]pyridin-2-one

  • Product code: SSC-000152
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1000342-80-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Shenzhen Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

1000342-80-2 / 6-chloro-1,3-dihydropyrrolo[3,2-c]pyridin-2-one

5-chloro-1H-pyrrolo[2,3-c]pyridin-2(3H)-one | 136888-17-0 | 5-chloro-1H,2H,3H-pyrrolo[2,3-c]pyridin-2-one

Standard CAS: 1000342-80-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1000342-80-2
Multi CAS
Yes
Molecular Formula
C7H5ClN2O
Molecular Weight
168.580000
Exact Mass
168.009041
SMILES
C1C2=CN=C(C=C2NC1=O)Cl
InChI
InChI=1S/C7H5ClN2O/c8-6-2-5-4(3-9-6)1-7(11)10-5/h2-3H,1H2,(H,10,11)
InChIKey
RHUOLXNCHDDKTB-UHFFFAOYSA-N
Synonyms
5-chloro-1H-pyrrolo[2,3-c]pyridin-2(3H)-one 136888-17-0 5-chloro-1H,2H,3H-pyrrolo[2,3-c]pyridin-2-one MFCD11518942 2H-PYRROLO[2,3-C]PYRIDIN-2-ONE, 5-CHLORO-1,3-DIHYDRO-

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.58
TPSA
41.99

LogP / Solubility

WLOGP
1.23
MLOGP
1.08
XLogP3
0.7
Consensus LogP
1
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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