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

C7H3F3N2O4 — CID 130081512

IUPAC5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(C(F)F)c(F)c1[N+](=O)[O-]
InChIInChI=1S/C7H3F3N2O4/c8-3-2(6(9)10)1-11-4(7(13)14)5(3)12(15)16/h1,6H,(H,13,14)
InChIKeyQYZLQAJQWBMIHJ-UHFFFAOYSA-N
MW236.10 g/mol
LogP1.76
Rot. Bonds3

About 5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid

5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid (PubChem CID 130081512) has the molecular formula C7H3F3N2O4 and a molecular weight of 236.10 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid
PubChem CID130081512
Molecular FormulaC7H3F3N2O4
Molecular Weight236.10 g/mol
Exact Mass236.00
IUPAC Name5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(C(F)F)c(F)c1[N+](=O)[O-]
InChIInChI=1S/C7H3F3N2O4/c8-3-2(6(9)10)1-11-4(7(13)14)5(3)12(15)16/h1,6H,(H,13,14)
InChIKeyQYZLQAJQWBMIHJ-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'}

Analyze 5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-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

5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
CID 130099870
4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118799511
3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 130104261
5-bromo-3-(difluoromethyl)-4-nitropyridine-2-carboxylic acid
CID 130069949
5-(difluoromethyl)-2-methyl-3-nitropyridine-4-carboxylic acid
CID 130088351
3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 130081955
[5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine
CID 130081364
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid
CID 130081519
4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
CID 118822344
4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid
CID 118806375
3-(difluoromethyl)-4-methyl-5-nitropyridine-2-carboxylic acid
CID 130088338
4-(difluoromethyl)-5-fluoro-3-nitropyridine-2-carboxamide
CID 118840768

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid (CID 130081512) is 5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid is O=C(O)c1ncc(C(F)F)c(F)c1[N+](=O)[O-].
What is the InChIKey of 5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid?
The InChIKey is QYZLQAJQWBMIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O4/c8-3-2(6(9)10)1-11-4(7(13)14)5(3)12(15)16/h1,6H,(H,13,14).
What are the key properties of 5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid?
5-(difluoromethyl)-4-fluoro-3-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 5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 130081512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).