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

C6H7Br2N3O2 — CID 122163829

IUPAC3-bromo-4-methyl-5-nitropyridin-2-amine;hydrobromide
SMILESBr.Cc1c([N+](=O)[O-])cnc(N)c1Br
InChIInChI=1S/C6H6BrN3O2.BrH/c1-3-4(10(11)12)2-9-6(8)5(3)7;/h2H,1H3,(H2,8,9);1H
InChIKeyFSRKINZTZKWUEC-UHFFFAOYSA-N
MW312.95 g/mol
LogP2.22
Rot. Bonds1

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

3-bromo-4-methyl-5-nitropyridin-2-amine;hydrobromide (PubChem CID 122163829) has the molecular formula C6H7Br2N3O2 and a molecular weight of 312.95 g/mol. Its IUPAC name is 3-bromo-4-methyl-5-nitropyridin-2-amine;hydrobromide.

Molecular Properties

Compound Name3-bromo-4-methyl-5-nitropyridin-2-amine;hydrobromide
PubChem CID122163829
Molecular FormulaC6H7Br2N3O2
Molecular Weight312.95 g/mol
Exact Mass310.89
IUPAC Name3-bromo-4-methyl-5-nitropyridin-2-amine;hydrobromide
SMILESBr.Cc1c([N+](=O)[O-])cnc(N)c1Br
InChIInChI=1S/C6H6BrN3O2.BrH/c1-3-4(10(11)12)2-9-6(8)5(3)7;/h2H,1H3,(H2,8,9);1H
InChIKeyFSRKINZTZKWUEC-UHFFFAOYSA-N
XLogP2.22
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.95
LogP ≤ 52.22
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'}

Analyze 3-bromo-4-methyl-5-nitropyridin-2-amine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-5-nitropyridin-2-amine;hydrobromide?
The IUPAC name of 3-bromo-4-methyl-5-nitropyridin-2-amine;hydrobromide (CID 122163829) is 3-bromo-4-methyl-5-nitropyridin-2-amine;hydrobromide.
What is the SMILES notation for 3-bromo-4-methyl-5-nitropyridin-2-amine;hydrobromide?
The canonical SMILES for 3-bromo-4-methyl-5-nitropyridin-2-amine;hydrobromide is Br.Cc1c([N+](=O)[O-])cnc(N)c1Br.
What is the InChIKey of 3-bromo-4-methyl-5-nitropyridin-2-amine;hydrobromide?
The InChIKey is FSRKINZTZKWUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O2.BrH/c1-3-4(10(11)12)2-9-6(8)5(3)7;/h2H,1H3,(H2,8,9);1H.
What are the key properties of 3-bromo-4-methyl-5-nitropyridin-2-amine;hydrobromide?
3-bromo-4-methyl-5-nitropyridin-2-amine;hydrobromide has a molecular weight of 312.95 g/mol, XLogP of 2.22, 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;hydrobromide is sourced from PubChem (CID 122163829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).