3-bromo-N-methylpyridin-4-amine

C6H7BrN2 — CID 13098201

IUPAC3-bromo-N-methylpyridin-4-amine
SMILESCNc1ccncc1Br
InChIInChI=1S/C6H7BrN2/c1-8-6-2-3-9-4-5(6)7/h2-4H,1H3,(H,8,9)
InChIKeyCDKSEZAZZNDVCY-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.89
Rot. Bonds1

About 3-bromo-N-methylpyridin-4-amine

3-bromo-N-methylpyridin-4-amine (PubChem CID 13098201) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 3-bromo-N-methylpyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-methylpyridin-4-amine
PubChem CID13098201
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name3-bromo-N-methylpyridin-4-amine
SMILESCNc1ccncc1Br
InChIInChI=1S/C6H7BrN2/c1-8-6-2-3-9-4-5(6)7/h2-4H,1H3,(H,8,9)
InChIKeyCDKSEZAZZNDVCY-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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methylpyridin-4-amine?
The IUPAC name of 3-bromo-N-methylpyridin-4-amine (CID 13098201) is 3-bromo-N-methylpyridin-4-amine.
What is the SMILES notation for 3-bromo-N-methylpyridin-4-amine?
The canonical SMILES for 3-bromo-N-methylpyridin-4-amine is CNc1ccncc1Br.
What is the InChIKey of 3-bromo-N-methylpyridin-4-amine?
The InChIKey is CDKSEZAZZNDVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c1-8-6-2-3-9-4-5(6)7/h2-4H,1H3,(H,8,9).
What are the key properties of 3-bromo-N-methylpyridin-4-amine?
3-bromo-N-methylpyridin-4-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 3-bromo-N-methylpyridin-4-amine is sourced from PubChem (CID 13098201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).