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

C13H7ClF3NO2 — CID 53223969

IUPAC2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)ncc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H7ClF3NO2/c14-11-5-9(12(19)20)10(6-18-11)7-1-3-8(4-2-7)13(15,16)17/h1-6H,(H,19,20)
InChIKeyCVHVASZUFIISFH-UHFFFAOYSA-N
MW301.65 g/mol
LogP4.12
Rot. Bonds2

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

2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid (PubChem CID 53223969) has the molecular formula C13H7ClF3NO2 and a molecular weight of 301.65 g/mol. Its IUPAC name is 2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
PubChem CID53223969
Molecular FormulaC13H7ClF3NO2
Molecular Weight301.65 g/mol
Exact Mass301.01
IUPAC Name2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)ncc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H7ClF3NO2/c14-11-5-9(12(19)20)10(6-18-11)7-1-3-8(4-2-7)13(15,16)17/h1-6H,(H,19,20)
InChIKeyCVHVASZUFIISFH-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid (CID 53223969) is 2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)ncc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
The InChIKey is CVHVASZUFIISFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO2/c14-11-5-9(12(19)20)10(6-18-11)7-1-3-8(4-2-7)13(15,16)17/h1-6H,(H,19,20).
What are the key properties of 2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
2-chloro-5-[4-(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 2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 53223969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).