2-[2-(2-chlorophenyl)ethenyl]-6-methylpyridine-3-carboxylic acid

C15H12ClNO2 — CID 54524899

IUPAC2-[2-(2-chlorophenyl)ethenyl]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(C=Cc2ccccc2Cl)n1
InChIInChI=1S/C15H12ClNO2/c1-10-6-8-12(15(18)19)14(17-10)9-7-11-4-2-3-5-13(11)16/h2-9H,1H3,(H,18,19)
InChIKeyYSLLCDKCNRTXFG-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.91
Rot. Bonds3

About 2-[2-(2-chlorophenyl)ethenyl]-6-methylpyridine-3-carboxylic acid

2-[2-(2-chlorophenyl)ethenyl]-6-methylpyridine-3-carboxylic acid (PubChem CID 54524899) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethenyl]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethenyl]-6-methylpyridine-3-carboxylic acid
PubChem CID54524899
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name2-[2-(2-chlorophenyl)ethenyl]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(C=Cc2ccccc2Cl)n1
InChIInChI=1S/C15H12ClNO2/c1-10-6-8-12(15(18)19)14(17-10)9-7-11-4-2-3-5-13(11)16/h2-9H,1H3,(H,18,19)
InChIKeyYSLLCDKCNRTXFG-UHFFFAOYSA-N
XLogP3.91
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethenyl]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(2-chlorophenyl)ethenyl]-6-methylpyridine-3-carboxylic acid (CID 54524899) is 2-[2-(2-chlorophenyl)ethenyl]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethenyl]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethenyl]-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(C=Cc2ccccc2Cl)n1.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethenyl]-6-methylpyridine-3-carboxylic acid?
The InChIKey is YSLLCDKCNRTXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-10-6-8-12(15(18)19)14(17-10)9-7-11-4-2-3-5-13(11)16/h2-9H,1H3,(H,18,19).
What are the key properties of 2-[2-(2-chlorophenyl)ethenyl]-6-methylpyridine-3-carboxylic acid?
2-[2-(2-chlorophenyl)ethenyl]-6-methylpyridine-3-carboxylic acid has a molecular weight of 273.72 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethenyl]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 54524899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).