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

C13H7ClF3NO3 — CID 134631035

IUPAC6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Cl)c(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C13H7ClF3NO3/c14-11-9(5-7(6-18-11)12(19)20)8-3-1-2-4-10(8)21-13(15,16)17/h1-6H,(H,19,20)
InChIKeyQILAZMNZJDBMAF-UHFFFAOYSA-N
MW317.65 g/mol
LogP4.00
Rot. Bonds3

About 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid

6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid (PubChem CID 134631035) has the molecular formula C13H7ClF3NO3 and a molecular weight of 317.65 g/mol. Its IUPAC name is 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
PubChem CID134631035
Molecular FormulaC13H7ClF3NO3
Molecular Weight317.65 g/mol
Exact Mass317.01
IUPAC Name6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Cl)c(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C13H7ClF3NO3/c14-11-9(5-7(6-18-11)12(19)20)8-3-1-2-4-10(8)21-13(15,16)17/h1-6H,(H,19,20)
InChIKeyQILAZMNZJDBMAF-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'}

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Related Compounds

2-chloro-5-nitro-3-[2-(trifluoromethoxy)phenyl]pyridine
CID 119022402
5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 103694050
2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
CID 50999403
6-chloro-5-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 46313827
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134627368
3,4-difluoro-5-[2-(trifluoromethoxy)phenyl]benzamide
CID 172648842
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118819339
2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 119003076
2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134620790
3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 133088932
6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 133089211

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid (CID 134631035) is 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid is O=C(O)c1cnc(Cl)c(-c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid?
The InChIKey is QILAZMNZJDBMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO3/c14-11-9(5-7(6-18-11)12(19)20)8-3-1-2-4-10(8)21-13(15,16)17/h1-6H,(H,19,20).
What are the key properties of 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid?
6-chloro-5-[2-(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 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 134631035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).