[email protected]
CAS 119646-49-0 3-Pyridinecarboxamide,6-(hydroxymethyl)-(9CI) molecular structure lightbox
CAS RN: 119646-49-0

3-Pyridinecarboxamide,6-(hydroxymethyl)-(9CI)

  • Product code: SSC-020314
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 119646-49-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry

119646-49-0 / 6-(hydroxymethyl)pyridine-3-carboxamide

6-(hydroxymethyl)nicotinamide | 3-Pyridinecarboxamide,6-(hydroxymethyl)-(9ci) | 6-(Hydroxymethyl)pyridine-3-carboxamide

Standard CAS: 119646-49-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
119646-49-0
Multi CAS
No
Molecular Formula
C7H8N2O2
Molecular Weight
152.150000
Exact Mass
152.058578
SMILES
C1=CC(=NC=C1C(=O)N)CO
InChI
InChI=1S/C7H8N2O2/c8-7(11)5-1-2-6(4-10)9-3-5/h1-3,10H,4H2,(H2,8,11)
InChIKey
WJDRYPLEVGPPCO-UHFFFAOYSA-N
Synonyms
6-(hydroxymethyl)nicotinamide 3-Pyridinecarboxamide,6-(hydroxymethyl)-(9ci) 6-(Hydroxymethyl)pyridine-3-carboxamide MFCD11656601 SCHEMBL2937228

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.68
TPSA
76.21

LogP / Solubility

WLOGP
-0.33
MLOGP
-0.29
XLogP3
-1.1
Consensus LogP
-0.57
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.62
Class (SILICOS-IT)
Very 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)
-3.88

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us