6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid

C8H3F5N2O4 — CID 118854491

IUPAC6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)F)c([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C8H3F5N2O4/c9-6(10)5-3(15(18)19)1-2(8(11,12)13)4(14-5)7(16)17/h1,6H,(H,16,17)
InChIKeyDAEOVJWQTYWXBD-UHFFFAOYSA-N
MW286.11 g/mol
LogP2.64
Rot. Bonds3

About 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid

6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 118854491) has the molecular formula C8H3F5N2O4 and a molecular weight of 286.11 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID118854491
Molecular FormulaC8H3F5N2O4
Molecular Weight286.11 g/mol
Exact Mass286.00
IUPAC Name6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)F)c([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C8H3F5N2O4/c9-6(10)5-3(15(18)19)1-2(8(11,12)13)4(14-5)7(16)17/h1,6H,(H,16,17)
InChIKeyDAEOVJWQTYWXBD-UHFFFAOYSA-N
XLogP2.64
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 52.64
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

6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide
CID 118831634
[6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118803451
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118820580
5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134674275
5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133107036
6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118803629
3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134658740
2-cyano-6-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 134685781
6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid
CID 118809026
2-[2-chloro-6-(difluoromethyl)-5-nitro-3-pyridinyl]acetic acid
CID 134674999
6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide
CID 118820529
methyl 6-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylate
CID 133098599

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid (CID 118854491) is 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1nc(C(F)F)c([N+](=O)[O-])cc1C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is DAEOVJWQTYWXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N2O4/c9-6(10)5-3(15(18)19)1-2(8(11,12)13)4(14-5)7(16)17/h1,6H,(H,16,17).
What are the key properties of 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid?
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 286.11 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 118854491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).