6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid

C13H6ClF4NO3 — CID 157036894

IUPAC6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(F)c1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H6ClF4NO3/c14-9-5-8(12(20)21)10(11(15)19-9)22-7-3-1-2-6(4-7)13(16,17)18/h1-5H,(H,20,21)
InChIKeyNHVWWCASYWDSPH-UHFFFAOYSA-N
MW335.64 g/mol
LogP4.38
Rot. Bonds3

About 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid

6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid (PubChem CID 157036894) has the molecular formula C13H6ClF4NO3 and a molecular weight of 335.64 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid
PubChem CID157036894
Molecular FormulaC13H6ClF4NO3
Molecular Weight335.64 g/mol
Exact Mass335.00
IUPAC Name6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(F)c1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H6ClF4NO3/c14-9-5-8(12(20)21)10(11(15)19-9)22-7-3-1-2-6(4-7)13(16,17)18/h1-5H,(H,20,21)
InChIKeyNHVWWCASYWDSPH-UHFFFAOYSA-N
XLogP4.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.64
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-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

6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine
CID 157036896
5-methoxy-3-methyl-2-[3-(trifluoromethyl)phenoxy]benzoic acid
CID 67832312
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid
CID 63512626
6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid
CID 15790812
2-[[2,6-bis[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-4,5-dichlorobenzoic acid
CID 88891462
5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 81446828
2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 83072753
4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
CID 21471060
3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid
CID 19389250
3-methoxy-2-[2-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]but-2-enoic acid
CID 139654305
[4-(2-chloroquinoline-4-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 55785069

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid?
The IUPAC name of 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid (CID 157036894) is 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(F)c1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid?
The InChIKey is NHVWWCASYWDSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF4NO3/c14-9-5-8(12(20)21)10(11(15)19-9)22-7-3-1-2-6(4-7)13(16,17)18/h1-5H,(H,20,21).
What are the key properties of 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid?
6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid has a molecular weight of 335.64 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 157036894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).