2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid

C12H6Cl3NO2 — CID 118813611

IUPAC2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H6Cl3NO2/c13-8-5-10(15)9(14)4-7(8)11-6(12(17)18)2-1-3-16-11/h1-5H,(H,17,18)
InChIKeyUFJPQBMKKCVGFA-UHFFFAOYSA-N
MW302.54 g/mol
LogP4.41
Rot. Bonds2

About 2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid

2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid (PubChem CID 118813611) has the molecular formula C12H6Cl3NO2 and a molecular weight of 302.54 g/mol. Its IUPAC name is 2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid
PubChem CID118813611
Molecular FormulaC12H6Cl3NO2
Molecular Weight302.54 g/mol
Exact Mass300.95
IUPAC Name2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H6Cl3NO2/c13-8-5-10(15)9(14)4-7(8)11-6(12(17)18)2-1-3-16-11/h1-5H,(H,17,18)
InChIKeyUFJPQBMKKCVGFA-UHFFFAOYSA-N
XLogP4.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)pyridine-3-carboxylic acid
CID 52983918
3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid
CID 133086569
2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53224258
4-(3-carboxy-2-pyridinyl)-2-chloropyridine-3-carboxylic acid
CID 166072546
2-(2-chloro-3-methyl-4-pyridinyl)pyridine-3-carboxylic acid
CID 118436010
2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
CID 68944876
3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
CID 68947647
2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 118847520
2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53223736
4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid
CID 68955463
2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid
CID 70407654
5-chloro-6-(2,4,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 134629884

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid (CID 118813611) is 2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid?
The InChIKey is UFJPQBMKKCVGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3NO2/c13-8-5-10(15)9(14)4-7(8)11-6(12(17)18)2-1-3-16-11/h1-5H,(H,17,18).
What are the key properties of 2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid?
2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid has a molecular weight of 302.54 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 118813611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).