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

C7H3F3N2O4 — CID 130081519

IUPAC3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid
SMILESO=C(O)c1nc([N+](=O)[O-])c(F)cc1C(F)F
InChIInChI=1S/C7H3F3N2O4/c8-3-1-2(5(9)10)4(7(13)14)11-6(3)12(15)16/h1,5H,(H,13,14)
InChIKeyCHMUDSCPNPDVOZ-UHFFFAOYSA-N
MW236.10 g/mol
LogP1.76
Rot. Bonds3

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

3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid (PubChem CID 130081519) has the molecular formula C7H3F3N2O4 and a molecular weight of 236.10 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid
PubChem CID130081519
Molecular FormulaC7H3F3N2O4
Molecular Weight236.10 g/mol
Exact Mass236.00
IUPAC Name3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid
SMILESO=C(O)c1nc([N+](=O)[O-])c(F)cc1C(F)F
InChIInChI=1S/C7H3F3N2O4/c8-3-1-2(5(9)10)4(7(13)14)11-6(3)12(15)16/h1,5H,(H,13,14)
InChIKeyCHMUDSCPNPDVOZ-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104450
3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid
CID 130080267
5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134677795
5-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134670979
5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 130104260
5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134683686
4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid
CID 130088350
6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 119018210
6-chloro-4-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 130074851
5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid
CID 130081512
5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride
CID 133100866
ethyl 3-(difluoromethyl)-5-methyl-6-nitropyridine-2-carboxylate
CID 133098678

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid (CID 130081519) is 3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid is O=C(O)c1nc([N+](=O)[O-])c(F)cc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid?
The InChIKey is CHMUDSCPNPDVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O4/c8-3-1-2(5(9)10)4(7(13)14)11-6(3)12(15)16/h1,5H,(H,13,14).
What are the key properties of 3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid?
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-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 3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 130081519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).