6-bromo-N-methylpyridin-3-amine

C6H7BrN2 — CID 817178

IUPAC6-bromo-N-methylpyridin-3-amine
SMILESCNc1ccc(Br)nc1
InChIInChI=1S/C6H7BrN2/c1-8-5-2-3-6(7)9-4-5/h2-4,8H,1H3
InChIKeyOAXOGPDQYIWCST-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.89
Rot. Bonds1

About 6-bromo-N-methylpyridin-3-amine

6-bromo-N-methylpyridin-3-amine (PubChem CID 817178) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 6-bromo-N-methylpyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-methylpyridin-3-amine
PubChem CID817178
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name6-bromo-N-methylpyridin-3-amine
SMILESCNc1ccc(Br)nc1
InChIInChI=1S/C6H7BrN2/c1-8-5-2-3-6(7)9-4-5/h2-4,8H,1H3
InChIKeyOAXOGPDQYIWCST-UHFFFAOYSA-N
XLogP1.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 51.89
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-bromo-N-methylpyridin-3-amine?
The IUPAC name of 6-bromo-N-methylpyridin-3-amine (CID 817178) is 6-bromo-N-methylpyridin-3-amine.
What is the SMILES notation for 6-bromo-N-methylpyridin-3-amine?
The canonical SMILES for 6-bromo-N-methylpyridin-3-amine is CNc1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-methylpyridin-3-amine?
The InChIKey is OAXOGPDQYIWCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c1-8-5-2-3-6(7)9-4-5/h2-4,8H,1H3.
What are the key properties of 6-bromo-N-methylpyridin-3-amine?
6-bromo-N-methylpyridin-3-amine has a molecular weight of 187.04 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methylpyridin-3-amine is sourced from PubChem (CID 817178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).