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

C13H7ClF3NO3 — CID 53224310

IUPAC2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OC(F)(F)F)cc2)cnc1Cl
InChIInChI=1S/C13H7ClF3NO3/c14-11-10(12(19)20)5-8(6-18-11)7-1-3-9(4-2-7)21-13(15,16)17/h1-6H,(H,19,20)
InChIKeyDJPUTNOSEJQDGB-UHFFFAOYSA-N
MW317.65 g/mol
LogP4.00
Rot. Bonds3

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

2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid (PubChem CID 53224310) has the molecular formula C13H7ClF3NO3 and a molecular weight of 317.65 g/mol. Its IUPAC name is 2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
PubChem CID53224310
Molecular FormulaC13H7ClF3NO3
Molecular Weight317.65 g/mol
Exact Mass317.01
IUPAC Name2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OC(F)(F)F)cc2)cnc1Cl
InChIInChI=1S/C13H7ClF3NO3/c14-11-10(12(19)20)5-8(6-18-11)7-1-3-9(4-2-7)21-13(15,16)17/h1-6H,(H,19,20)
InChIKeyDJPUTNOSEJQDGB-UHFFFAOYSA-N
XLogP4.00
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.65
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid
CID 53222587
5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid
CID 117222130
2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224344
2-chloro-5-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224514
2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228258
methyl 2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 87395859
2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 53222875
6-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134630822
2-chloro-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-3-carboxylic acid
CID 53224663
2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134628691
2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 28875531
2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid
CID 53223255

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid (CID 53224310) is 2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid is O=C(O)c1cc(-c2ccc(OC(F)(F)F)cc2)cnc1Cl.
What is the InChIKey of 2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid?
The InChIKey is DJPUTNOSEJQDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO3/c14-11-10(12(19)20)5-8(6-18-11)7-1-3-9(4-2-7)21-13(15,16)17/h1-6H,(H,19,20).
What are the key properties of 2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid?
2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid has a molecular weight of 317.65 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53224310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).