2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid

C7H3BrF2N2O4 — CID 119002406

IUPAC2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid
SMILESO=C(O)c1cc([N+](=O)[O-])nc(Br)c1C(F)F
InChIInChI=1S/C7H3BrF2N2O4/c8-5-4(6(9)10)2(7(13)14)1-3(11-5)12(15)16/h1,6H,(H,13,14)
InChIKeyQGAJAESMGCSLSJ-UHFFFAOYSA-N
MW297.01 g/mol
LogP2.39
Rot. Bonds3

About 2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid

2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid (PubChem CID 119002406) has the molecular formula C7H3BrF2N2O4 and a molecular weight of 297.01 g/mol. Its IUPAC name is 2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid
PubChem CID119002406
Molecular FormulaC7H3BrF2N2O4
Molecular Weight297.01 g/mol
Exact Mass295.92
IUPAC Name2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid
SMILESO=C(O)c1cc([N+](=O)[O-])nc(Br)c1C(F)F
InChIInChI=1S/C7H3BrF2N2O4/c8-5-4(6(9)10)2(7(13)14)1-3(11-5)12(15)16/h1,6H,(H,13,14)
InChIKeyQGAJAESMGCSLSJ-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'}

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Related Compounds

6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130102115
2-(difluoromethyl)-3-hydroxy-6-nitropyridine-4-carboxylic acid
CID 118831588
2-bromo-6-nitropyridine-3-carboxylic acid
CID 130822833
6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 119018210
4-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid
CID 118823903
2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118991271
6-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carboxylic acid
CID 130109726
2-[4-bromo-2-(difluoromethyl)-6-nitro-3-pyridinyl]acetic acid
CID 118806238
4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde
CID 118851470
2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 118990825
4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid
CID 130088350
2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid
CID 118820433

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid?
The IUPAC name of 2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid (CID 119002406) is 2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid.
What is the SMILES notation for 2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid?
The canonical SMILES for 2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid is O=C(O)c1cc([N+](=O)[O-])nc(Br)c1C(F)F.
What is the InChIKey of 2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid?
The InChIKey is QGAJAESMGCSLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2N2O4/c8-5-4(6(9)10)2(7(13)14)1-3(11-5)12(15)16/h1,6H,(H,13,14).
What are the key properties of 2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid?
2-bromo-3-(difluoromethyl)-6-nitropyridine-4-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 2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid is sourced from PubChem (CID 119002406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).