2-chloro-6-(4-methylthiophen-2-yl)pyridine-4-carboxylic acid

C11H8ClNO2S — CID 86257397

IUPAC2-chloro-6-(4-methylthiophen-2-yl)pyridine-4-carboxylic acid
SMILESCc1csc(-c2cc(C(=O)O)cc(Cl)n2)c1
InChIInChI=1S/C11H8ClNO2S/c1-6-2-9(16-5-6)8-3-7(11(14)15)4-10(12)13-8/h2-5H,1H3,(H,14,15)
InChIKeyXJCIJYRCHMWORV-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.47
Rot. Bonds2

About 2-chloro-6-(4-methylthiophen-2-yl)pyridine-4-carboxylic acid

2-chloro-6-(4-methylthiophen-2-yl)pyridine-4-carboxylic acid (PubChem CID 86257397) has the molecular formula C11H8ClNO2S and a molecular weight of 253.71 g/mol. Its IUPAC name is 2-chloro-6-(4-methylthiophen-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(4-methylthiophen-2-yl)pyridine-4-carboxylic acid
PubChem CID86257397
Molecular FormulaC11H8ClNO2S
Molecular Weight253.71 g/mol
Exact Mass253.00
IUPAC Name2-chloro-6-(4-methylthiophen-2-yl)pyridine-4-carboxylic acid
SMILESCc1csc(-c2cc(C(=O)O)cc(Cl)n2)c1
InChIInChI=1S/C11H8ClNO2S/c1-6-2-9(16-5-6)8-3-7(11(14)15)4-10(12)13-8/h2-5H,1H3,(H,14,15)
InChIKeyXJCIJYRCHMWORV-UHFFFAOYSA-N
XLogP3.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.47
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-(4-methylthiophen-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(4-methylthiophen-2-yl)pyridine-4-carboxylic acid (CID 86257397) is 2-chloro-6-(4-methylthiophen-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(4-methylthiophen-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(4-methylthiophen-2-yl)pyridine-4-carboxylic acid is Cc1csc(-c2cc(C(=O)O)cc(Cl)n2)c1.
What is the InChIKey of 2-chloro-6-(4-methylthiophen-2-yl)pyridine-4-carboxylic acid?
The InChIKey is XJCIJYRCHMWORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2S/c1-6-2-9(16-5-6)8-3-7(11(14)15)4-10(12)13-8/h2-5H,1H3,(H,14,15).
What are the key properties of 2-chloro-6-(4-methylthiophen-2-yl)pyridine-4-carboxylic acid?
2-chloro-6-(4-methylthiophen-2-yl)pyridine-4-carboxylic acid has a molecular weight of 253.71 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-methylthiophen-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 86257397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).