3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid

C13H7ClF3NO2 — CID 134626264

IUPAC3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1c(Cl)cncc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H7ClF3NO2/c14-10-6-18-5-8(11(10)12(19)20)7-3-1-2-4-9(7)13(15,16)17/h1-6H,(H,19,20)
InChIKeyAEQVFGMERRVMIP-UHFFFAOYSA-N
MW301.65 g/mol
LogP4.12
Rot. Bonds2

About 3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid

3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid (PubChem CID 134626264) has the molecular formula C13H7ClF3NO2 and a molecular weight of 301.65 g/mol. Its IUPAC name is 3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
PubChem CID134626264
Molecular FormulaC13H7ClF3NO2
Molecular Weight301.65 g/mol
Exact Mass301.01
IUPAC Name3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1c(Cl)cncc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H7ClF3NO2/c14-10-6-18-5-8(11(10)12(19)20)7-3-1-2-4-9(7)13(15,16)17/h1-6H,(H,19,20)
InChIKeyAEQVFGMERRVMIP-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid (CID 134626264) is 3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid is O=C(O)c1c(Cl)cncc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
The InChIKey is AEQVFGMERRVMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO2/c14-10-6-18-5-8(11(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 3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-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 3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 134626264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).