4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid

C9H6F5NO3 — CID 118852185

IUPAC4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOc1cnc(C(F)(F)F)c(C(=O)O)c1C(F)F
InChIInChI=1S/C9H6F5NO3/c1-18-3-2-15-6(9(12,13)14)5(8(16)17)4(3)7(10)11/h2,7H,1H3,(H,16,17)
InChIKeyKDNLCXMEGZWIOI-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.74
Rot. Bonds3

About 4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid

4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 118852185) has the molecular formula C9H6F5NO3 and a molecular weight of 271.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID118852185
Molecular FormulaC9H6F5NO3
Molecular Weight271.14 g/mol
Exact Mass271.03
IUPAC Name4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOc1cnc(C(F)(F)F)c(C(=O)O)c1C(F)F
InChIInChI=1S/C9H6F5NO3/c1-18-3-2-15-6(9(12,13)14)5(8(16)17)4(3)7(10)11/h2,7H,1H3,(H,16,17)
InChIKeyKDNLCXMEGZWIOI-UHFFFAOYSA-N
XLogP2.74
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 133099443
5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134665255
[4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118824102
ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133098582
methyl 4-(difluoromethyl)-2,5-dimethoxypyridine-3-carboxylate
CID 134684678
2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid
CID 130100978
4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118829655
4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine
CID 134660494
2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118990891
4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118817666
methyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133101747
methyl 4-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133103913

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid (CID 118852185) is 4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid is COc1cnc(C(F)(F)F)c(C(=O)O)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is KDNLCXMEGZWIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO3/c1-18-3-2-15-6(9(12,13)14)5(8(16)17)4(3)7(10)11/h2,7H,1H3,(H,16,17).
What are the key properties of 4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid?
4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 271.14 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 118852185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).