3-bromo-4-methyl-5-nitropyridin-2-amine

C6H6BrN3O2 — CID 2734424

IUPAC3-bromo-4-methyl-5-nitropyridin-2-amine
SMILESCc1c([N+](=O)[O-])cnc(N)c1Br
InChIInChI=1S/C6H6BrN3O2/c1-3-4(10(11)12)2-9-6(8)5(3)7/h2H,1H3,(H2,8,9)
InChIKeyZIVNKACVCVSAEO-UHFFFAOYSA-N
MW232.04 g/mol
LogP1.64
Rot. Bonds1

About 3-bromo-4-methyl-5-nitropyridin-2-amine

3-bromo-4-methyl-5-nitropyridin-2-amine (PubChem CID 2734424) has the molecular formula C6H6BrN3O2 and a molecular weight of 232.04 g/mol. Its IUPAC name is 3-bromo-4-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-5-nitropyridin-2-amine
PubChem CID2734424
Molecular FormulaC6H6BrN3O2
Molecular Weight232.04 g/mol
Exact Mass230.96
IUPAC Name3-bromo-4-methyl-5-nitropyridin-2-amine
SMILESCc1c([N+](=O)[O-])cnc(N)c1Br
InChIInChI=1S/C6H6BrN3O2/c1-3-4(10(11)12)2-9-6(8)5(3)7/h2H,1H3,(H2,8,9)
InChIKeyZIVNKACVCVSAEO-UHFFFAOYSA-N
XLogP1.64
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.04
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-5-nitropyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-5-nitropyridin-2-amine (CID 2734424) is 3-bromo-4-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-5-nitropyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-5-nitropyridin-2-amine is Cc1c([N+](=O)[O-])cnc(N)c1Br.
What is the InChIKey of 3-bromo-4-methyl-5-nitropyridin-2-amine?
The InChIKey is ZIVNKACVCVSAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O2/c1-3-4(10(11)12)2-9-6(8)5(3)7/h2H,1H3,(H2,8,9).
What are the key properties of 3-bromo-4-methyl-5-nitropyridin-2-amine?
3-bromo-4-methyl-5-nitropyridin-2-amine has a molecular weight of 232.04 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 2734424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).