6-chloro-N-methylpyridin-3-amine

C6H7ClN2 — CID 15515118

IUPAC6-chloro-N-methylpyridin-3-amine
SMILESCNc1ccc(Cl)nc1
InChIInChI=1S/C6H7ClN2/c1-8-5-2-3-6(7)9-4-5/h2-4,8H,1H3
InChIKeyLFRYVKXHKZPNED-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.78
Rot. Bonds1

About 6-chloro-N-methylpyridin-3-amine

6-chloro-N-methylpyridin-3-amine (PubChem CID 15515118) has the molecular formula C6H7ClN2 and a molecular weight of 142.59 g/mol. Its IUPAC name is 6-chloro-N-methylpyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-methylpyridin-3-amine
PubChem CID15515118
Molecular FormulaC6H7ClN2
Molecular Weight142.59 g/mol
Exact Mass142.03
IUPAC Name6-chloro-N-methylpyridin-3-amine
SMILESCNc1ccc(Cl)nc1
InChIInChI=1S/C6H7ClN2/c1-8-5-2-3-6(7)9-4-5/h2-4,8H,1H3
InChIKeyLFRYVKXHKZPNED-UHFFFAOYSA-N
XLogP1.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 51.78
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 6-chloro-N-methylpyridin-3-amine?
The IUPAC name of 6-chloro-N-methylpyridin-3-amine (CID 15515118) is 6-chloro-N-methylpyridin-3-amine.
What is the SMILES notation for 6-chloro-N-methylpyridin-3-amine?
The canonical SMILES for 6-chloro-N-methylpyridin-3-amine is CNc1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-methylpyridin-3-amine?
The InChIKey is LFRYVKXHKZPNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2/c1-8-5-2-3-6(7)9-4-5/h2-4,8H,1H3.
What are the key properties of 6-chloro-N-methylpyridin-3-amine?
6-chloro-N-methylpyridin-3-amine has a molecular weight of 142.59 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methylpyridin-3-amine is sourced from PubChem (CID 15515118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).