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

C14H9ClF3NO3 — CID 53224514

IUPAC2-chloro-5-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cnc(Cl)c(C(=O)O)c2)cc1C(F)(F)F
InChIInChI=1S/C14H9ClF3NO3/c1-22-11-3-2-7(5-10(11)14(16,17)18)8-4-9(13(20)21)12(15)19-6-8/h2-6H,1H3,(H,20,21)
InChIKeyKQIQZEUIVRNNCO-UHFFFAOYSA-N
MW331.68 g/mol
LogP4.13
Rot. Bonds3

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

2-chloro-5-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 53224514) has the molecular formula C14H9ClF3NO3 and a molecular weight of 331.68 g/mol. Its IUPAC name is 2-chloro-5-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID53224514
Molecular FormulaC14H9ClF3NO3
Molecular Weight331.68 g/mol
Exact Mass331.02
IUPAC Name2-chloro-5-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cnc(Cl)c(C(=O)O)c2)cc1C(F)(F)F
InChIInChI=1S/C14H9ClF3NO3/c1-22-11-3-2-7(5-10(11)14(16,17)18)8-4-9(13(20)21)12(15)19-6-8/h2-6H,1H3,(H,20,21)
InChIKeyKQIQZEUIVRNNCO-UHFFFAOYSA-N
XLogP4.13
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.68
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid
CID 53223255
2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224344
2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 53224310
2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 53222875
2-methoxy-3-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228634
2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid
CID 53222587
methyl 2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 87395859
5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid
CID 117222130
5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117463208
2-methoxy-5-[6-[[2-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]benzoic acid
CID 126586281
2-chloro-5-(3-methylphenyl)pyridine-3-carboxylic acid
CID 53222523
3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228622

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-5-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 53224514) is 2-chloro-5-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is COc1ccc(-c2cnc(Cl)c(C(=O)O)c2)cc1C(F)(F)F.
What is the InChIKey of 2-chloro-5-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is KQIQZEUIVRNNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO3/c1-22-11-3-2-7(5-10(11)14(16,17)18)8-4-9(13(20)21)12(15)19-6-8/h2-6H,1H3,(H,20,21).
What are the key properties of 2-chloro-5-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
2-chloro-5-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 331.68 g/mol, XLogP of 4.13, 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-methoxy-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53224514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).