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

C7H3F3N2O4 — CID 118823903

IUPAC4-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)F)cc([N+](=O)[O-])nc1F
InChIInChI=1S/C7H3F3N2O4/c8-5(9)2-1-3(12(15)16)11-6(10)4(2)7(13)14/h1,5H,(H,13,14)
InChIKeyWVIAFZQRXGMWIM-UHFFFAOYSA-N
MW236.10 g/mol
LogP1.76
Rot. Bonds3

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

4-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid (PubChem CID 118823903) has the molecular formula C7H3F3N2O4 and a molecular weight of 236.10 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid
PubChem CID118823903
Molecular FormulaC7H3F3N2O4
Molecular Weight236.10 g/mol
Exact Mass236.00
IUPAC Name4-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)F)cc([N+](=O)[O-])nc1F
InChIInChI=1S/C7H3F3N2O4/c8-5(9)2-1-3(12(15)16)11-6(10)4(2)7(13)14/h1,5H,(H,13,14)
InChIKeyWVIAFZQRXGMWIM-UHFFFAOYSA-N
XLogP1.76
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 51.76
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

4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid
CID 130088350
4-(difluoromethyl)-2-fluoro-3-methoxy-6-nitropyridine
CID 118813047
2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid
CID 118820433
6-chloro-4-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 130074851
methyl 2-amino-4-(difluoromethyl)-6-nitropyridine-3-carboxylate
CID 134663964
ethyl 2-[4-(difluoromethyl)-2-fluoro-6-nitro-3-pyridinyl]acetate
CID 133104916
2-(difluoromethyl)-3-hydroxy-6-nitropyridine-4-carboxylic acid
CID 118831588
2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid
CID 119002406
4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride
CID 118829446
4-(difluoromethyl)-5-fluoro-2-nitrobenzoic acid
CID 131417827
methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate
CID 133103216
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid
CID 130081519

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid (CID 118823903) is 4-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid is O=C(O)c1c(C(F)F)cc([N+](=O)[O-])nc1F.
What is the InChIKey of 4-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid?
The InChIKey is WVIAFZQRXGMWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O4/c8-5(9)2-1-3(12(15)16)11-6(10)4(2)7(13)14/h1,5H,(H,13,14).
What are the key properties of 4-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid?
4-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid has a molecular weight of 236.10 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-fluoro-6-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 118823903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).