4-bromo-2-methyl-2H-pyridin-1-amine

C6H9BrN2 — CID 67626976

IUPAC4-bromo-2-methyl-2H-pyridin-1-amine
SMILESCC1C=C(Br)C=CN1N
InChIInChI=1S/C6H9BrN2/c1-5-4-6(7)2-3-9(5)8/h2-5H,8H2,1H3
InChIKeyJTMWTMXGLQZPKU-UHFFFAOYSA-N
MW189.06 g/mol
LogP1.36
Rot. Bonds

About 4-bromo-2-methyl-2H-pyridin-1-amine

4-bromo-2-methyl-2H-pyridin-1-amine (PubChem CID 67626976) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is 4-bromo-2-methyl-2H-pyridin-1-amine.

Molecular Properties

Compound Name4-bromo-2-methyl-2H-pyridin-1-amine
PubChem CID67626976
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name4-bromo-2-methyl-2H-pyridin-1-amine
SMILESCC1C=C(Br)C=CN1N
InChIInChI=1S/C6H9BrN2/c1-5-4-6(7)2-3-9(5)8/h2-5H,8H2,1H3
InChIKeyJTMWTMXGLQZPKU-UHFFFAOYSA-N
XLogP1.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-2H-pyridin-1-amine?
The IUPAC name of 4-bromo-2-methyl-2H-pyridin-1-amine (CID 67626976) is 4-bromo-2-methyl-2H-pyridin-1-amine.
What is the SMILES notation for 4-bromo-2-methyl-2H-pyridin-1-amine?
The canonical SMILES for 4-bromo-2-methyl-2H-pyridin-1-amine is CC1C=C(Br)C=CN1N.
What is the InChIKey of 4-bromo-2-methyl-2H-pyridin-1-amine?
The InChIKey is JTMWTMXGLQZPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2/c1-5-4-6(7)2-3-9(5)8/h2-5H,8H2,1H3.
What are the key properties of 4-bromo-2-methyl-2H-pyridin-1-amine?
4-bromo-2-methyl-2H-pyridin-1-amine has a molecular weight of 189.06 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-2H-pyridin-1-amine is sourced from PubChem (CID 67626976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).