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CAS 902837-39-2 3-Bromo-5-iodopyridin-4-amine molecular structure lightbox
CAS RN: 902837-39-2

3-Bromo-5-iodopyridin-4-amine

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Batchno.20250824 1g / 5g / 10g / 25g Out of stock 5-7 business days Inquiry
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902837-39-2 / 3-bromo-5-iodopyridin-4-amine

3-bromo-5-iodopyridin-4-amine | 4-AMINO-3-BROMO-5-IODOPYRIDINE | MFCD07781147

Standard CAS: 902837-39-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
902837-39-2
Multi CAS
Yes
Molecular Formula
C5H4BRIN2
Molecular Weight
298.910000
Exact Mass
297.860260
SMILES
C1=C(C(=C(C=N1)I)N)Br
InChI
InChI=1S/C5H4BrIN2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)
InChIKey
OGUAUXDOIHVFPA-UHFFFAOYSA-N
Synonyms
3-bromo-5-iodopyridin-4-amine 4-AMINO-3-BROMO-5-IODOPYRIDINE MFCD07781147 3-bromo-5-iodo-pyridin-4-amine 5-bromo-3-iodo-4-pyridylamine

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.07
TPSA
38.91

LogP / Solubility

WLOGP
2.03
MLOGP
1.8
XLogP3
1.5
Consensus LogP
1.78
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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