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

C14H10F3NO2 — CID 172909577

IUPAC2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1ccc(-c2ncc(C(F)(F)F)cc2C(=O)O)cc1
InChIInChI=1S/C14H10F3NO2/c1-8-2-4-9(5-3-8)12-11(13(19)20)6-10(7-18-12)14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeyQBYGHOSEADJCDS-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.77
Rot. Bonds2

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

2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 172909577) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID172909577
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1ccc(-c2ncc(C(F)(F)F)cc2C(=O)O)cc1
InChIInChI=1S/C14H10F3NO2/c1-8-2-4-9(5-3-8)12-11(13(19)20)6-10(7-18-12)14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeyQBYGHOSEADJCDS-UHFFFAOYSA-N
XLogP3.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909581
2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 134618070
2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909587
2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 172913846
2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 68945828
4-(4-methylphenyl)pyrimidine-5-carboxylic acid
CID 58828782
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118819339
methyl 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134633979
2,5-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 119013467
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118847412
2-(2,3-difluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118808003
4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333213

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 172909577) is 2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid is Cc1ccc(-c2ncc(C(F)(F)F)cc2C(=O)O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is QBYGHOSEADJCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c1-8-2-4-9(5-3-8)12-11(13(19)20)6-10(7-18-12)14(15,16)17/h2-7H,1H3,(H,19,20).
What are the key properties of 2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 281.23 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 172909577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).