2-(bromomethyl)-3-fluoro-6-methyl-5-nitropyridine

C7H6BrFN2O2 — CID 58370425

IUPAC2-(bromomethyl)-3-fluoro-6-methyl-5-nitropyridine
SMILESCc1nc(CBr)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6BrFN2O2/c1-4-7(11(12)13)2-5(9)6(3-8)10-4/h2H,3H2,1H3
InChIKeyMIMQGQCRLFQYJH-UHFFFAOYSA-N
MW249.04 g/mol
LogP2.33
Rot. Bonds2

About 2-(bromomethyl)-3-fluoro-6-methyl-5-nitropyridine

2-(bromomethyl)-3-fluoro-6-methyl-5-nitropyridine (PubChem CID 58370425) has the molecular formula C7H6BrFN2O2 and a molecular weight of 249.04 g/mol. Its IUPAC name is 2-(bromomethyl)-3-fluoro-6-methyl-5-nitropyridine.

Molecular Properties

Compound Name2-(bromomethyl)-3-fluoro-6-methyl-5-nitropyridine
PubChem CID58370425
Molecular FormulaC7H6BrFN2O2
Molecular Weight249.04 g/mol
Exact Mass247.96
IUPAC Name2-(bromomethyl)-3-fluoro-6-methyl-5-nitropyridine
SMILESCc1nc(CBr)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6BrFN2O2/c1-4-7(11(12)13)2-5(9)6(3-8)10-4/h2H,3H2,1H3
InChIKeyMIMQGQCRLFQYJH-UHFFFAOYSA-N
XLogP2.33
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.04
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-3-fluoro-6-methyl-5-nitropyridine 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 2-(bromomethyl)-3-fluoro-6-methyl-5-nitropyridine?
The IUPAC name of 2-(bromomethyl)-3-fluoro-6-methyl-5-nitropyridine (CID 58370425) is 2-(bromomethyl)-3-fluoro-6-methyl-5-nitropyridine.
What is the SMILES notation for 2-(bromomethyl)-3-fluoro-6-methyl-5-nitropyridine?
The canonical SMILES for 2-(bromomethyl)-3-fluoro-6-methyl-5-nitropyridine is Cc1nc(CBr)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-(bromomethyl)-3-fluoro-6-methyl-5-nitropyridine?
The InChIKey is MIMQGQCRLFQYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2O2/c1-4-7(11(12)13)2-5(9)6(3-8)10-4/h2H,3H2,1H3.
What are the key properties of 2-(bromomethyl)-3-fluoro-6-methyl-5-nitropyridine?
2-(bromomethyl)-3-fluoro-6-methyl-5-nitropyridine has a molecular weight of 249.04 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-fluoro-6-methyl-5-nitropyridine is sourced from PubChem (CID 58370425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).