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

C8H3F5N2O5 — CID 134677795

IUPAC5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc([N+](=O)[O-])c(C(F)F)cc1OC(F)(F)F
InChIInChI=1S/C8H3F5N2O5/c9-5(10)2-1-3(20-8(11,12)13)4(7(16)17)14-6(2)15(18)19/h1,5H,(H,16,17)
InChIKeyYOZIIKZRIJGBKN-UHFFFAOYSA-N
MW302.11 g/mol
LogP2.52
Rot. Bonds4

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

5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 134677795) has the molecular formula C8H3F5N2O5 and a molecular weight of 302.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID134677795
Molecular FormulaC8H3F5N2O5
Molecular Weight302.11 g/mol
Exact Mass302.00
IUPAC Name5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc([N+](=O)[O-])c(C(F)F)cc1OC(F)(F)F
InChIInChI=1S/C8H3F5N2O5/c9-5(10)2-1-3(20-8(11,12)13)4(7(16)17)14-6(2)15(18)19/h1,5H,(H,16,17)
InChIKeyYOZIIKZRIJGBKN-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'}

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Related Compounds

methyl 5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134682718
[5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134678874
3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134664731
6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118992472
6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118803629
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid
CID 130081519
6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118814679
4-(difluoromethyl)-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118805923
6-iodo-3-nitro-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134679606
6-methyl-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134672820
5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride
CID 133100866
5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134662164

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 134677795) is 5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid is O=C(O)c1nc([N+](=O)[O-])c(C(F)F)cc1OC(F)(F)F.
What is the InChIKey of 5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is YOZIIKZRIJGBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N2O5/c9-5(10)2-1-3(20-8(11,12)13)4(7(16)17)14-6(2)15(18)19/h1,5H,(H,16,17).
What are the key properties of 5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
5-(difluoromethyl)-6-nitro-3-(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 5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 134677795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).