2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile

C13H10FN3O — CID 18956142

IUPAC2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile
SMILESN#Cc1cc(Nc2ncccc2CO)ccc1F
InChIInChI=1S/C13H10FN3O/c14-12-4-3-11(6-10(12)7-15)17-13-9(8-18)2-1-5-16-13/h1-6,18H,8H2,(H,16,17)
InChIKeyWDOSAHSNRKDQEA-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.33
Rot. Bonds3

About 2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile

2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile (PubChem CID 18956142) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile
PubChem CID18956142
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile
SMILESN#Cc1cc(Nc2ncccc2CO)ccc1F
InChIInChI=1S/C13H10FN3O/c14-12-4-3-11(6-10(12)7-15)17-13-9(8-18)2-1-5-16-13/h1-6,18H,8H2,(H,16,17)
InChIKeyWDOSAHSNRKDQEA-UHFFFAOYSA-N
XLogP2.33
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile?
The IUPAC name of 2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile (CID 18956142) is 2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile?
The canonical SMILES for 2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile is N#Cc1cc(Nc2ncccc2CO)ccc1F.
What is the InChIKey of 2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile?
The InChIKey is WDOSAHSNRKDQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c14-12-4-3-11(6-10(12)7-15)17-13-9(8-18)2-1-5-16-13/h1-6,18H,8H2,(H,16,17).
What are the key properties of 2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile?
2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile has a molecular weight of 243.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 18956142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).