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

C13H8Cl3NO3 — CID 134636463

IUPAC6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)ccc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H8Cl3NO3/c1-20-12-7(3-5-9(17-12)13(18)19)6-2-4-8(14)11(16)10(6)15/h2-5H,1H3,(H,18,19)
InChIKeyJRZGZHIXGHBFRA-UHFFFAOYSA-N
MW332.57 g/mol
LogP4.42
Rot. Bonds3

About 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid

6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid (PubChem CID 134636463) has the molecular formula C13H8Cl3NO3 and a molecular weight of 332.57 g/mol. Its IUPAC name is 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid
PubChem CID134636463
Molecular FormulaC13H8Cl3NO3
Molecular Weight332.57 g/mol
Exact Mass330.96
IUPAC Name6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)ccc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H8Cl3NO3/c1-20-12-7(3-5-9(17-12)13(18)19)6-2-4-8(14)11(16)10(6)15/h2-5H,1H3,(H,18,19)
InChIKeyJRZGZHIXGHBFRA-UHFFFAOYSA-N
XLogP4.42
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.57
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
CID 134636682
6-methoxy-5-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid
CID 134631383
6-methoxy-5-phenylpyridine-2-carboxylic acid
CID 46315031
5-chloro-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 130089872
5-chloro-2-methoxy-3-(2,3,4-trichlorophenyl)pyridine
CID 134635987
(5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone
CID 58452562
methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
CID 134636585
2-[6-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]acetic acid
CID 118990587
2-(2,3,4-trichlorophenyl)pyrimidine-5-carboxylic acid
CID 118824968
methyl 2-methoxy-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
CID 134636667
6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)pyridine-2-carboxylic acid
CID 140590834
2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134636496

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid (CID 134636463) is 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid is COc1nc(C(=O)O)ccc1-c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid?
The InChIKey is JRZGZHIXGHBFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO3/c1-20-12-7(3-5-9(17-12)13(18)19)6-2-4-8(14)11(16)10(6)15/h2-5H,1H3,(H,18,19).
What are the key properties of 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid?
6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid has a molecular weight of 332.57 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 134636463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).