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

C9H6F5NO3 — CID 118826032

IUPAC2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOc1c(C(F)(F)F)cnc(C(F)F)c1C(=O)O
InChIInChI=1S/C9H6F5NO3/c1-18-6-3(9(12,13)14)2-15-5(7(10)11)4(6)8(16)17/h2,7H,1H3,(H,16,17)
InChIKeyVUWRPUKDEPHBHP-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.74
Rot. Bonds3

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

2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 118826032) has the molecular formula C9H6F5NO3 and a molecular weight of 271.14 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID118826032
Molecular FormulaC9H6F5NO3
Molecular Weight271.14 g/mol
Exact Mass271.03
IUPAC Name2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOc1c(C(F)(F)F)cnc(C(F)F)c1C(=O)O
InChIInChI=1S/C9H6F5NO3/c1-18-6-3(9(12,13)14)2-15-5(7(10)11)4(6)8(16)17/h2,7H,1H3,(H,16,17)
InChIKeyVUWRPUKDEPHBHP-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-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid
CID 130100978
2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol
CID 130083326
methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate
CID 133098888
2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134668342
4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118812541
2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118842969
2-(difluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118826106
5-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134672296
ethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134675027
ethyl 3-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 133084611
3-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-2-amine
CID 119010486
2-(difluoromethyl)-5-methoxy-4-nitropyridine-3-carboxylic acid
CID 118831830

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 118826032) is 2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid is COc1c(C(F)(F)F)cnc(C(F)F)c1C(=O)O.
What is the InChIKey of 2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is VUWRPUKDEPHBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO3/c1-18-6-3(9(12,13)14)2-15-5(7(10)11)4(6)8(16)17/h2,7H,1H3,(H,16,17).
What are the key properties of 2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(difluoromethyl)-4-methoxy-5-(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 2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 118826032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).