2-chloro-4-methylpyridin-3-amine

C6H7ClN2 — CID 2756387

IUPAC2-chloro-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1N
InChIInChI=1S/C6H7ClN2/c1-4-2-3-9-6(7)5(4)8/h2-3H,8H2,1H3
InChIKeyUOBCYTOUXLAABU-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.63
Rot. Bonds

About 2-chloro-4-methylpyridin-3-amine

2-chloro-4-methylpyridin-3-amine (PubChem CID 2756387) has the molecular formula C6H7ClN2 and a molecular weight of 142.59 g/mol. Its IUPAC name is 2-chloro-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methylpyridin-3-amine
PubChem CID2756387
Molecular FormulaC6H7ClN2
Molecular Weight142.59 g/mol
Exact Mass142.03
IUPAC Name2-chloro-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1N
InChIInChI=1S/C6H7ClN2/c1-4-2-3-9-6(7)5(4)8/h2-3H,8H2,1H3
InChIKeyUOBCYTOUXLAABU-UHFFFAOYSA-N
XLogP1.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-4-methylpyridin-3-amine (CID 2756387) is 2-chloro-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-4-methylpyridin-3-amine is Cc1ccnc(Cl)c1N.
What is the InChIKey of 2-chloro-4-methylpyridin-3-amine?
The InChIKey is UOBCYTOUXLAABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2/c1-4-2-3-9-6(7)5(4)8/h2-3H,8H2,1H3.
What are the key properties of 2-chloro-4-methylpyridin-3-amine?
2-chloro-4-methylpyridin-3-amine has a molecular weight of 142.59 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylpyridin-3-amine is sourced from PubChem (CID 2756387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).