3-bromo-4-methylpyridin-2-amine

C6H7BrN2 — CID 14418043

IUPAC3-bromo-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1Br
InChIInChI=1S/C6H7BrN2/c1-4-2-3-9-6(8)5(4)7/h2-3H,1H3,(H2,8,9)
InChIKeyPDFCXUVNUUYYOI-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.73
Rot. Bonds

About 3-bromo-4-methylpyridin-2-amine

3-bromo-4-methylpyridin-2-amine (PubChem CID 14418043) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 3-bromo-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methylpyridin-2-amine
PubChem CID14418043
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name3-bromo-4-methylpyridin-2-amine
SMILESCc1ccnc(N)c1Br
InChIInChI=1S/C6H7BrN2/c1-4-2-3-9-6(8)5(4)7/h2-3H,1H3,(H2,8,9)
InChIKeyPDFCXUVNUUYYOI-UHFFFAOYSA-N
XLogP1.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-4-methylpyridin-2-amine (CID 14418043) is 3-bromo-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-4-methylpyridin-2-amine is Cc1ccnc(N)c1Br.
What is the InChIKey of 3-bromo-4-methylpyridin-2-amine?
The InChIKey is PDFCXUVNUUYYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c1-4-2-3-9-6(8)5(4)7/h2-3H,1H3,(H2,8,9).
What are the key properties of 3-bromo-4-methylpyridin-2-amine?
3-bromo-4-methylpyridin-2-amine has a molecular weight of 187.04 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methylpyridin-2-amine is sourced from PubChem (CID 14418043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).