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

C12H5Cl4NO2 — CID 119011318

IUPAC2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)ncc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H5Cl4NO2/c13-8-2-1-5(10(15)11(8)16)7-4-17-9(14)3-6(7)12(18)19/h1-4H,(H,18,19)
InChIKeyOCQIMHYXLUAVIX-UHFFFAOYSA-N
MW336.99 g/mol
LogP5.06
Rot. Bonds2

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

2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylic acid (PubChem CID 119011318) has the molecular formula C12H5Cl4NO2 and a molecular weight of 336.99 g/mol. Its IUPAC name is 2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylic acid
PubChem CID119011318
Molecular FormulaC12H5Cl4NO2
Molecular Weight336.99 g/mol
Exact Mass334.91
IUPAC Name2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)ncc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H5Cl4NO2/c13-8-2-1-5(10(15)11(8)16)7-4-17-9(14)3-6(7)12(18)19/h1-4H,(H,18,19)
InChIKeyOCQIMHYXLUAVIX-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylic acid (CID 119011318) is 2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)ncc1-c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylic acid?
The InChIKey is OCQIMHYXLUAVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl4NO2/c13-8-2-1-5(10(15)11(8)16)7-4-17-9(14)3-6(7)12(18)19/h1-4H,(H,18,19).
What are the key properties of 2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylic acid?
2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-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 2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 119011318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).