3-(aminomethyl)-5-chloropyridine-2-carbonitrile

C7H6ClN3 — CID 122605010

IUPAC3-(aminomethyl)-5-chloropyridine-2-carbonitrile
SMILESN#Cc1ncc(Cl)cc1CN
InChIInChI=1S/C7H6ClN3/c8-6-1-5(2-9)7(3-10)11-4-6/h1,4H,2,9H2
InChIKeyYFKGJGQNDRPKKV-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.07
Rot. Bonds1

About 3-(aminomethyl)-5-chloropyridine-2-carbonitrile

3-(aminomethyl)-5-chloropyridine-2-carbonitrile (PubChem CID 122605010) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloropyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloropyridine-2-carbonitrile
PubChem CID122605010
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name3-(aminomethyl)-5-chloropyridine-2-carbonitrile
SMILESN#Cc1ncc(Cl)cc1CN
InChIInChI=1S/C7H6ClN3/c8-6-1-5(2-9)7(3-10)11-4-6/h1,4H,2,9H2
InChIKeyYFKGJGQNDRPKKV-UHFFFAOYSA-N
XLogP1.07
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-5-chloropyridine-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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloropyridine-2-carbonitrile?
The IUPAC name of 3-(aminomethyl)-5-chloropyridine-2-carbonitrile (CID 122605010) is 3-(aminomethyl)-5-chloropyridine-2-carbonitrile.
What is the SMILES notation for 3-(aminomethyl)-5-chloropyridine-2-carbonitrile?
The canonical SMILES for 3-(aminomethyl)-5-chloropyridine-2-carbonitrile is N#Cc1ncc(Cl)cc1CN.
What is the InChIKey of 3-(aminomethyl)-5-chloropyridine-2-carbonitrile?
The InChIKey is YFKGJGQNDRPKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c8-6-1-5(2-9)7(3-10)11-4-6/h1,4H,2,9H2.
What are the key properties of 3-(aminomethyl)-5-chloropyridine-2-carbonitrile?
3-(aminomethyl)-5-chloropyridine-2-carbonitrile has a molecular weight of 167.60 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloropyridine-2-carbonitrile is sourced from PubChem (CID 122605010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).