2-chloro-6-(2-methoxyphenyl)pyridine-3-carboxylic acid

C13H10ClNO3 — CID 828504

IUPAC2-chloro-6-(2-methoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccccc1-c1ccc(C(=O)O)c(Cl)n1
InChIInChI=1S/C13H10ClNO3/c1-18-11-5-3-2-4-8(11)10-7-6-9(13(16)17)12(14)15-10/h2-7H,1H3,(H,16,17)
InChIKeyGSADYPSKQPUONA-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.11
Rot. Bonds3

About 2-chloro-6-(2-methoxyphenyl)pyridine-3-carboxylic acid

2-chloro-6-(2-methoxyphenyl)pyridine-3-carboxylic acid (PubChem CID 828504) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-chloro-6-(2-methoxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(2-methoxyphenyl)pyridine-3-carboxylic acid
PubChem CID828504
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name2-chloro-6-(2-methoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccccc1-c1ccc(C(=O)O)c(Cl)n1
InChIInChI=1S/C13H10ClNO3/c1-18-11-5-3-2-4-8(11)10-7-6-9(13(16)17)12(14)15-10/h2-7H,1H3,(H,16,17)
InChIKeyGSADYPSKQPUONA-UHFFFAOYSA-N
XLogP3.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methoxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-6-(2-methoxyphenyl)pyridine-3-carboxylic acid (CID 828504) is 2-chloro-6-(2-methoxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(2-methoxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-6-(2-methoxyphenyl)pyridine-3-carboxylic acid is COc1ccccc1-c1ccc(C(=O)O)c(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-methoxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is GSADYPSKQPUONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-18-11-5-3-2-4-8(11)10-7-6-9(13(16)17)12(14)15-10/h2-7H,1H3,(H,16,17).
What are the key properties of 2-chloro-6-(2-methoxyphenyl)pyridine-3-carboxylic acid?
2-chloro-6-(2-methoxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 263.68 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methoxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 828504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).