3-chloro-4H-pyridin-3-amine

C₅H₇ClN₂ — CID 151184215

About 3-chloro-4H-pyridin-3-amine

3-chloro-4H-pyridin-3-amine (PubChem CID 151184215) has the molecular formula C₅H₇ClN₂ and a molecular weight of 130.58 g/mol. Its IUPAC name is 3-chloro-4H-pyridin-3-amine.

Molecular Properties

• Compound Name: 3-chloro-4H-pyridin-3-amine
• PubChem CID: 151184215
• Molecular Formula: C₅H₇ClN₂
• Molecular Weight: 130.58 g/mol
• Exact Mass: 130.03
• IUPAC Name: 3-chloro-4H-pyridin-3-amine
• SMILES: NC1(Cl)C=NC=CC1
• InChI: InChI=1S/C5H7ClN2/c6-5(7)2-1-3-8-4-5/h1,3-4H,2,7H2
• InChIKey: NEYCWGFWSGTTMD-UHFFFAOYSA-N
• XLogP: 0.87
• TPSA: 38.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	130.58
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4H-pyridin-3-amine?

The IUPAC name of 3-chloro-4H-pyridin-3-amine (CID 151184215) is 3-chloro-4H-pyridin-3-amine.

What is the SMILES notation for 3-chloro-4H-pyridin-3-amine?

The canonical SMILES for 3-chloro-4H-pyridin-3-amine is NC1(Cl)C=NC=CC1.

What is the InChIKey of 3-chloro-4H-pyridin-3-amine?

The InChIKey is NEYCWGFWSGTTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2/c6-5(7)2-1-3-8-4-5/h1,3-4H,2,7H2.

What are the key properties of 3-chloro-4H-pyridin-3-amine?

3-chloro-4H-pyridin-3-amine has a molecular weight of 130.58 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4H-pyridin-3-amine is sourced from PubChem (CID 151184215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151184215 — identifiers, structure, computed properties (public domain)

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