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

C13H6ClF4NO2 — CID 53224344

IUPAC2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)c(C(F)(F)F)c2)cnc1Cl
InChIInChI=1S/C13H6ClF4NO2/c14-11-8(12(20)21)3-7(5-19-11)6-1-2-10(15)9(4-6)13(16,17)18/h1-5H,(H,20,21)
InChIKeyXUAZMIRPTMPJBL-UHFFFAOYSA-N
MW319.64 g/mol
LogP4.26
Rot. Bonds2

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

2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 53224344) has the molecular formula C13H6ClF4NO2 and a molecular weight of 319.64 g/mol. Its IUPAC name is 2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID53224344
Molecular FormulaC13H6ClF4NO2
Molecular Weight319.64 g/mol
Exact Mass319.00
IUPAC Name2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)c(C(F)(F)F)c2)cnc1Cl
InChIInChI=1S/C13H6ClF4NO2/c14-11-8(12(20)21)3-7(5-19-11)6-1-2-10(15)9(4-6)13(16,17)18/h1-5H,(H,20,21)
InChIKeyXUAZMIRPTMPJBL-UHFFFAOYSA-N
XLogP4.26
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.64
LogP ≤ 54.26
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-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 53224344) is 2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is O=C(O)c1cc(-c2ccc(F)c(C(F)(F)F)c2)cnc1Cl.
What is the InChIKey of 2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is XUAZMIRPTMPJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF4NO2/c14-11-8(12(20)21)3-7(5-19-11)6-1-2-10(15)9(4-6)13(16,17)18/h1-5H,(H,20,21).
What are the key properties of 2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 319.64 g/mol, XLogP of 4.26, 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-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53224344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).