3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile

C8H7F2N3 — CID 130095901

IUPAC3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)cc1CN
InChIInChI=1S/C8H7F2N3/c9-8(10)6-1-5(2-11)7(3-12)13-4-6/h1,4,8H,2,11H2
InChIKeyPDOUHKQIEQZABM-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.35
Rot. Bonds2

About 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile

3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 130095901) has the molecular formula C8H7F2N3 and a molecular weight of 183.16 g/mol. Its IUPAC name is 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID130095901
Molecular FormulaC8H7F2N3
Molecular Weight183.16 g/mol
Exact Mass183.06
IUPAC Name3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)cc1CN
InChIInChI=1S/C8H7F2N3/c9-8(10)6-1-5(2-11)7(3-12)13-4-6/h1,4,8H,2,11H2
InChIKeyPDOUHKQIEQZABM-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 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-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

3-(aminomethyl)-5-chloropyridine-2-carbonitrile
CID 122605010
5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071100
5-(aminomethyl)-4-bromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108771
3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098067
3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130078808
3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130071095
5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130103400
2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 130097445
5-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
CID 130095789
3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107332
3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine
CID 119014885
2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130098006

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile (CID 130095901) is 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1ncc(C(F)F)cc1CN.
What is the InChIKey of 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is PDOUHKQIEQZABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3/c9-8(10)6-1-5(2-11)7(3-12)13-4-6/h1,4,8H,2,11H2.
What are the key properties of 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
3-(aminomethyl)-5-(difluoromethyl)pyridine-2-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 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130095901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).