2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid

C14H10F3NO3 — CID 172909581

IUPAC2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2ncc(C(F)(F)F)cc2C(=O)O)cc1
InChIInChI=1S/C14H10F3NO3/c1-21-10-4-2-8(3-5-10)12-11(13(19)20)6-9(7-18-12)14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeyNWFKWCODBCIPCH-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.47
Rot. Bonds3

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

2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 172909581) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID172909581
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2ncc(C(F)(F)F)cc2C(=O)O)cc1
InChIInChI=1S/C14H10F3NO3/c1-21-10-4-2-8(3-5-10)12-11(13(19)20)6-9(7-18-12)14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeyNWFKWCODBCIPCH-UHFFFAOYSA-N
XLogP3.47
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909587
2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909577
methyl 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134633979
2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 172913849
2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 134618070
4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333222
methyl 2-(4-methoxy-N-methylanilino)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 122505030
3-(4-methoxyphenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
CID 3751880
2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 68945828
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118819339
2,5-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 119013467
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 176902739

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 172909581) is 2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid is COc1ccc(-c2ncc(C(F)(F)F)cc2C(=O)O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is NWFKWCODBCIPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c1-21-10-4-2-8(3-5-10)12-11(13(19)20)6-9(7-18-12)14(15,16)17/h2-7H,1H3,(H,19,20).
What are the key properties of 2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 297.23 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 172909581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).