6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid

C7H3BrF2N2O4 — CID 119018210

IUPAC6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)c(Br)nc1[N+](=O)[O-]
InChIInChI=1S/C7H3BrF2N2O4/c8-4-2(5(9)10)1-3(7(13)14)6(11-4)12(15)16/h1,5H,(H,13,14)
InChIKeyOSARUZSSANADQM-UHFFFAOYSA-N
MW297.01 g/mol
LogP2.39
Rot. Bonds3

About 6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid

6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid (PubChem CID 119018210) has the molecular formula C7H3BrF2N2O4 and a molecular weight of 297.01 g/mol. Its IUPAC name is 6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
PubChem CID119018210
Molecular FormulaC7H3BrF2N2O4
Molecular Weight297.01 g/mol
Exact Mass295.92
IUPAC Name6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)c(Br)nc1[N+](=O)[O-]
InChIInChI=1S/C7H3BrF2N2O4/c8-4-2(5(9)10)1-3(7(13)14)6(11-4)12(15)16/h1,5H,(H,13,14)
InChIKeyOSARUZSSANADQM-UHFFFAOYSA-N
XLogP2.39
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.01
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid
CID 118848577
2,6-dibromo-3-(difluoromethyl)-5-nitropyridine
CID 118990338
2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid
CID 119002406
5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 130101818
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid
CID 130081519
4-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 118844275
2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid
CID 118826321
5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine
CID 119014971
2-(difluoromethyl)-5-methoxy-6-nitropyridine-3-carboxylic acid
CID 118826363
6-chloro-4-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 130074851
5-bromo-2-nitropyridine-3-carboxylic acid
CID 131030308
4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 118828181

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid?
The IUPAC name of 6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid (CID 119018210) is 6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid?
The canonical SMILES for 6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid is O=C(O)c1cc(C(F)F)c(Br)nc1[N+](=O)[O-].
What is the InChIKey of 6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid?
The InChIKey is OSARUZSSANADQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2N2O4/c8-4-2(5(9)10)1-3(7(13)14)6(11-4)12(15)16/h1,5H,(H,13,14).
What are the key properties of 6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid?
6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid has a molecular weight of 297.01 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 119018210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).