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

C12H5Cl4NO2 — CID 134636030

IUPAC5-chloro-2-(3,4,5-trichlorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)cnc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C12H5Cl4NO2/c13-6-3-7(12(18)19)11(17-4-6)5-1-8(14)10(16)9(15)2-5/h1-4H,(H,18,19)
InChIKeyWYWOWQUZZPVCCD-UHFFFAOYSA-N
MW336.99 g/mol
LogP5.06
Rot. Bonds2

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

5-chloro-2-(3,4,5-trichlorophenyl)pyridine-3-carboxylic acid (PubChem CID 134636030) has the molecular formula C12H5Cl4NO2 and a molecular weight of 336.99 g/mol. Its IUPAC name is 5-chloro-2-(3,4,5-trichlorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(3,4,5-trichlorophenyl)pyridine-3-carboxylic acid
PubChem CID134636030
Molecular FormulaC12H5Cl4NO2
Molecular Weight336.99 g/mol
Exact Mass334.91
IUPAC Name5-chloro-2-(3,4,5-trichlorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Cl)cnc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C12H5Cl4NO2/c13-6-3-7(12(18)19)11(17-4-6)5-1-8(14)10(16)9(15)2-5/h1-4H,(H,18,19)
InChIKeyWYWOWQUZZPVCCD-UHFFFAOYSA-N
XLogP5.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.99
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(3,4,5-trichlorophenyl)benzoic acid
CID 134629032
2-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118853209
2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid
CID 118824902
2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118802662
2,4-bis(3,4,5-trichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 134617786
5-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine-3-carboxylic acid
CID 133089990
2-oxo-5-(3,4,5-trichlorophenyl)-1H-pyridine-4-carboxylic acid
CID 133092325
4-(3,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 14182189
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118847412
5-chloro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134636021
2-[5-chloro-6-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
CID 134636083
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,4,5-trichlorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-2-(3,4,5-trichlorophenyl)pyridine-3-carboxylic acid (CID 134636030) is 5-chloro-2-(3,4,5-trichlorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(3,4,5-trichlorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-2-(3,4,5-trichlorophenyl)pyridine-3-carboxylic acid is O=C(O)c1cc(Cl)cnc1-c1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 5-chloro-2-(3,4,5-trichlorophenyl)pyridine-3-carboxylic acid?
The InChIKey is WYWOWQUZZPVCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl4NO2/c13-6-3-7(12(18)19)11(17-4-6)5-1-8(14)10(16)9(15)2-5/h1-4H,(H,18,19).
What are the key properties of 5-chloro-2-(3,4,5-trichlorophenyl)pyridine-3-carboxylic acid?
5-chloro-2-(3,4,5-trichlorophenyl)pyridine-3-carboxylic acid has a molecular weight of 336.99 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,4,5-trichlorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 134636030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).