5-chloropyridin-3-amine

C5H5ClN2 — CID 818257

IUPAC5-chloropyridin-3-amine
SMILESNc1cncc(Cl)c1
InChIInChI=1S/C5H5ClN2/c6-4-1-5(7)3-8-2-4/h1-3H,7H2
InChIKeyZHMASVAJFJFFLS-UHFFFAOYSA-N
MW128.56 g/mol
LogP1.32
Rot. Bonds

About 5-chloropyridin-3-amine

5-chloropyridin-3-amine (PubChem CID 818257) has the molecular formula C5H5ClN2 and a molecular weight of 128.56 g/mol. Its IUPAC name is 5-chloropyridin-3-amine.

Molecular Properties

Compound Name5-chloropyridin-3-amine
PubChem CID818257
Molecular FormulaC5H5ClN2
Molecular Weight128.56 g/mol
Exact Mass128.01
IUPAC Name5-chloropyridin-3-amine
SMILESNc1cncc(Cl)c1
InChIInChI=1S/C5H5ClN2/c6-4-1-5(7)3-8-2-4/h1-3H,7H2
InChIKeyZHMASVAJFJFFLS-UHFFFAOYSA-N
XLogP1.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.56
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloropyridin-3-amine 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 5-chloropyridin-3-amine?
The IUPAC name of 5-chloropyridin-3-amine (CID 818257) is 5-chloropyridin-3-amine.
What is the SMILES notation for 5-chloropyridin-3-amine?
The canonical SMILES for 5-chloropyridin-3-amine is Nc1cncc(Cl)c1.
What is the InChIKey of 5-chloropyridin-3-amine?
The InChIKey is ZHMASVAJFJFFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2/c6-4-1-5(7)3-8-2-4/h1-3H,7H2.
What are the key properties of 5-chloropyridin-3-amine?
5-chloropyridin-3-amine has a molecular weight of 128.56 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropyridin-3-amine is sourced from PubChem (CID 818257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).