4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

C13H7ClF3NO2 — CID 22030043

IUPAC4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C13H7ClF3NO2/c14-10-5-11(18-6-8(10)12(19)20)7-3-1-2-4-9(7)13(15,16)17/h1-6H,(H,19,20)
InChIKeyVPEMYCQKBKCEPT-UHFFFAOYSA-N
MW301.65 g/mol
LogP4.12
Rot. Bonds2

About 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 22030043) has the molecular formula C13H7ClF3NO2 and a molecular weight of 301.65 g/mol. Its IUPAC name is 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID22030043
Molecular FormulaC13H7ClF3NO2
Molecular Weight301.65 g/mol
Exact Mass301.01
IUPAC Name4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C13H7ClF3NO2/c14-10-5-11(18-6-8(10)12(19)20)7-3-1-2-4-9(7)13(15,16)17/h1-6H,(H,19,20)
InChIKeyVPEMYCQKBKCEPT-UHFFFAOYSA-N
XLogP4.12
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.65
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 24729991
5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 146037649
2-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118808083
5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 133089659
3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 134626264
2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 112694386
2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3991118
4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 118817860
5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 134629102
[5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 134629153
2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118852999
4-(2-chlorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 22831559

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 22030043) is 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is O=C(O)c1cnc(-c2ccccc2C(F)(F)F)cc1Cl.
What is the InChIKey of 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is VPEMYCQKBKCEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO2/c14-10-5-11(18-6-8(10)12(19)20)7-3-1-2-4-9(7)13(15,16)17/h1-6H,(H,19,20).
What are the key properties of 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 301.65 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 22030043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).