2-chloro-1H-pyridine-2,6-diamine

C5H8ClN3 — CID 70462988

IUPAC2-chloro-1H-pyridine-2,6-diamine
SMILESNC1=CC=CC(N)(Cl)N1
InChIInChI=1S/C5H8ClN3/c6-5(8)3-1-2-4(7)9-5/h1-3,9H,7-8H2
InChIKeySGPLUMFHYABBCG-UHFFFAOYSA-N
MW145.59 g/mol
LogP-0.20
Rot. Bonds

About 2-chloro-1H-pyridine-2,6-diamine

2-chloro-1H-pyridine-2,6-diamine (PubChem CID 70462988) has the molecular formula C5H8ClN3 and a molecular weight of 145.59 g/mol. Its IUPAC name is 2-chloro-1H-pyridine-2,6-diamine.

Molecular Properties

Compound Name2-chloro-1H-pyridine-2,6-diamine
PubChem CID70462988
Molecular FormulaC5H8ClN3
Molecular Weight145.59 g/mol
Exact Mass145.04
IUPAC Name2-chloro-1H-pyridine-2,6-diamine
SMILESNC1=CC=CC(N)(Cl)N1
InChIInChI=1S/C5H8ClN3/c6-5(8)3-1-2-4(7)9-5/h1-3,9H,7-8H2
InChIKeySGPLUMFHYABBCG-UHFFFAOYSA-N
XLogP-0.20
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-chloro-1H-pyridine-2,6-diamine 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 2-chloro-1H-pyridine-2,6-diamine?
The IUPAC name of 2-chloro-1H-pyridine-2,6-diamine (CID 70462988) is 2-chloro-1H-pyridine-2,6-diamine.
What is the SMILES notation for 2-chloro-1H-pyridine-2,6-diamine?
The canonical SMILES for 2-chloro-1H-pyridine-2,6-diamine is NC1=CC=CC(N)(Cl)N1.
What is the InChIKey of 2-chloro-1H-pyridine-2,6-diamine?
The InChIKey is SGPLUMFHYABBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3/c6-5(8)3-1-2-4(7)9-5/h1-3,9H,7-8H2.
What are the key properties of 2-chloro-1H-pyridine-2,6-diamine?
2-chloro-1H-pyridine-2,6-diamine has a molecular weight of 145.59 g/mol, XLogP of -0.20, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1H-pyridine-2,6-diamine is sourced from PubChem (CID 70462988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).