2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile

C8H7F2N3 — CID 118831350

IUPAC2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)F)nc1CN
InChIInChI=1S/C8H7F2N3/c9-8(10)6-2-1-5(3-11)7(4-12)13-6/h1-2,8H,4,12H2
InChIKeyJHIBSMZSGOGMCJ-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.35
Rot. Bonds2

About 2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile

2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 118831350) has the molecular formula C8H7F2N3 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID118831350
Molecular FormulaC8H7F2N3
Molecular Weight183.16 g/mol
Exact Mass183.06
IUPAC Name2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)F)nc1CN
InChIInChI=1S/C8H7F2N3/c9-8(10)6-2-1-5(3-11)7(4-12)13-6/h1-2,8H,4,12H2
InChIKeyJHIBSMZSGOGMCJ-UHFFFAOYSA-N
XLogP1.35
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 130095815
2-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 118836753
2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118825834
2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118831357
2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077370
3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130078191
6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118814384
6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118825680
2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile
CID 118842695
2-[2-(aminomethyl)-6-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 118825820
6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118803246
6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118808652

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile (CID 118831350) is 2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)F)nc1CN.
What is the InChIKey of 2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is JHIBSMZSGOGMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3/c9-8(10)6-2-1-5(3-11)7(4-12)13-6/h1-2,8H,4,12H2.
What are the key properties of 2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile?
2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile has a molecular weight of 183.16 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118831350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).