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

C8H3F5N2O5 — CID 118803629

IUPAC6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)F)c(OC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H3F5N2O5/c9-6(10)5-3(20-8(11,12)13)1-2(15(18)19)4(14-5)7(16)17/h1,6H,(H,16,17)
InChIKeyHUGUZOXLRPRGAX-UHFFFAOYSA-N
MW302.11 g/mol
LogP2.52
Rot. Bonds4

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

6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 118803629) has the molecular formula C8H3F5N2O5 and a molecular weight of 302.11 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID118803629
Molecular FormulaC8H3F5N2O5
Molecular Weight302.11 g/mol
Exact Mass302.00
IUPAC Name6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)F)c(OC(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H3F5N2O5/c9-6(10)5-3(20-8(11,12)13)1-2(15(18)19)4(14-5)7(16)17/h1,6H,(H,16,17)
InChIKeyHUGUZOXLRPRGAX-UHFFFAOYSA-N
XLogP2.52
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-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

6-methyl-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134672820
2-chloro-6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine
CID 119016049
5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134677795
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118854491
6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118814679
3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134664731
6-iodo-3-nitro-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134679606
methyl 6-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylate
CID 133098599
5-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 118801627
6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118992472
methyl 5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134682718
6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134669754

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 118803629) is 6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid is O=C(O)c1nc(C(F)F)c(OC(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is HUGUZOXLRPRGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N2O5/c9-6(10)5-3(20-8(11,12)13)1-2(15(18)19)4(14-5)7(16)17/h1,6H,(H,16,17).
What are the key properties of 6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid has a molecular weight of 302.11 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 118803629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).