6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

C13H7F4NO2 — CID 133089695

IUPAC6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)n1
InChIInChI=1S/C13H7F4NO2/c14-11-9(5-6-10(18-11)12(19)20)7-1-3-8(4-2-7)13(15,16)17/h1-6H,(H,19,20)
InChIKeyXUYJCGOXICVMLY-UHFFFAOYSA-N
MW285.20 g/mol
LogP3.60
Rot. Bonds2

About 6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 133089695) has the molecular formula C13H7F4NO2 and a molecular weight of 285.20 g/mol. Its IUPAC name is 6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
PubChem CID133089695
Molecular FormulaC13H7F4NO2
Molecular Weight285.20 g/mol
Exact Mass285.04
IUPAC Name6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)n1
InChIInChI=1S/C13H7F4NO2/c14-11-9(5-6-10(18-11)12(19)20)7-1-3-8(4-2-7)13(15,16)17/h1-6H,(H,19,20)
InChIKeyXUYJCGOXICVMLY-UHFFFAOYSA-N
XLogP3.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[6-fluoro-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 133089720
[6-fluoro-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 133089786
5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133096218
5,6-difluoropyridine-2-carboxylic acid
CID 11469221
6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 133089211
3-chloro-4-[4-(trifluoromethyl)phenyl]benzoic acid
CID 79018068
2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 133089726
2-[3,6-bis[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623890
2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 11630778
6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxylic acid
CID 133091974
1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 105423901
2-(4-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648600

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (CID 133089695) is 6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)n1.
What is the InChIKey of 6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is XUYJCGOXICVMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO2/c14-11-9(5-6-10(18-11)12(19)20)7-1-3-8(4-2-7)13(15,16)17/h1-6H,(H,19,20).
What are the key properties of 6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 285.20 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 133089695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).