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

C9H6F5NO3 — CID 118812541

IUPAC4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)ncc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C9H6F5NO3/c1-18-6-4(7(10)11)3(9(12,13)14)2-15-5(6)8(16)17/h2,7H,1H3,(H,16,17)
InChIKeyIQTSNRYODHRACF-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.74
Rot. Bonds3

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

4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 118812541) has the molecular formula C9H6F5NO3 and a molecular weight of 271.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID118812541
Molecular FormulaC9H6F5NO3
Molecular Weight271.14 g/mol
Exact Mass271.03
IUPAC Name4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)ncc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C9H6F5NO3/c1-18-6-4(7(10)11)3(9(12,13)14)2-15-5(6)8(16)17/h2,7H,1H3,(H,16,17)
InChIKeyIQTSNRYODHRACF-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

3-methoxy-4-propyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 174704309
4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid
CID 118806375
3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid
CID 130080806
2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118826032
methyl 4-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133103914
4-(difluoromethyl)-2-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 118835037
methyl 4-amino-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134685827
methyl 4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133084575
3-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-2-amine
CID 119010486
4-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118824021
2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118990891
methyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103562

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 118812541) is 4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid is COc1c(C(=O)O)ncc(C(F)(F)F)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is IQTSNRYODHRACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO3/c1-18-6-4(7(10)11)3(9(12,13)14)2-15-5(6)8(16)17/h2,7H,1H3,(H,16,17).
What are the key properties of 4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-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)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 118812541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).