2-bromo-6-chloro-N-methylpyridin-3-amine

C6H6BrClN2 — CID 90061658

IUPAC2-bromo-6-chloro-N-methylpyridin-3-amine
SMILESCNc1ccc(Cl)nc1Br
InChIInChI=1S/C6H6BrClN2/c1-9-4-2-3-5(8)10-6(4)7/h2-3,9H,1H3
InChIKeyOMGFNTOJEWGXCA-UHFFFAOYSA-N
MW221.49 g/mol
LogP2.54
Rot. Bonds1

About 2-bromo-6-chloro-N-methylpyridin-3-amine

2-bromo-6-chloro-N-methylpyridin-3-amine (PubChem CID 90061658) has the molecular formula C6H6BrClN2 and a molecular weight of 221.49 g/mol. Its IUPAC name is 2-bromo-6-chloro-N-methylpyridin-3-amine.

Molecular Properties

Compound Name2-bromo-6-chloro-N-methylpyridin-3-amine
PubChem CID90061658
Molecular FormulaC6H6BrClN2
Molecular Weight221.49 g/mol
Exact Mass219.94
IUPAC Name2-bromo-6-chloro-N-methylpyridin-3-amine
SMILESCNc1ccc(Cl)nc1Br
InChIInChI=1S/C6H6BrClN2/c1-9-4-2-3-5(8)10-6(4)7/h2-3,9H,1H3
InChIKeyOMGFNTOJEWGXCA-UHFFFAOYSA-N
XLogP2.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.49
LogP ≤ 52.54
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-bromo-6-chloro-N-methylpyridin-3-amine?
The IUPAC name of 2-bromo-6-chloro-N-methylpyridin-3-amine (CID 90061658) is 2-bromo-6-chloro-N-methylpyridin-3-amine.
What is the SMILES notation for 2-bromo-6-chloro-N-methylpyridin-3-amine?
The canonical SMILES for 2-bromo-6-chloro-N-methylpyridin-3-amine is CNc1ccc(Cl)nc1Br.
What is the InChIKey of 2-bromo-6-chloro-N-methylpyridin-3-amine?
The InChIKey is OMGFNTOJEWGXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClN2/c1-9-4-2-3-5(8)10-6(4)7/h2-3,9H,1H3.
What are the key properties of 2-bromo-6-chloro-N-methylpyridin-3-amine?
2-bromo-6-chloro-N-methylpyridin-3-amine has a molecular weight of 221.49 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-N-methylpyridin-3-amine is sourced from PubChem (CID 90061658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).