3-chloropyridin-4-amine

C5H5ClN2 — CID 581853

IUPAC3-chloropyridin-4-amine
SMILESNc1ccncc1Cl
InChIInChI=1S/C5H5ClN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
InChIKeyKJBKPRMEMJKXDV-UHFFFAOYSA-N
MW128.56 g/mol
LogP1.32
Rot. Bonds

About 3-chloropyridin-4-amine

3-chloropyridin-4-amine (PubChem CID 581853) has the molecular formula C5H5ClN2 and a molecular weight of 128.56 g/mol. Its IUPAC name is 3-chloropyridin-4-amine.

Molecular Properties

Compound Name3-chloropyridin-4-amine
PubChem CID581853
Molecular FormulaC5H5ClN2
Molecular Weight128.56 g/mol
Exact Mass128.01
IUPAC Name3-chloropyridin-4-amine
SMILESNc1ccncc1Cl
InChIInChI=1S/C5H5ClN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
InChIKeyKJBKPRMEMJKXDV-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 3-chloropyridin-4-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 3-chloropyridin-4-amine?
The IUPAC name of 3-chloropyridin-4-amine (CID 581853) is 3-chloropyridin-4-amine.
What is the SMILES notation for 3-chloropyridin-4-amine?
The canonical SMILES for 3-chloropyridin-4-amine is Nc1ccncc1Cl.
What is the InChIKey of 3-chloropyridin-4-amine?
The InChIKey is KJBKPRMEMJKXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8).
What are the key properties of 3-chloropyridin-4-amine?
3-chloropyridin-4-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 3-chloropyridin-4-amine is sourced from PubChem (CID 581853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).