ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate

C15H14ClNO2 — CID 112561955

IUPACethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccc(Cl)c2)nc1C
InChIInChI=1S/C15H14ClNO2/c1-3-19-15(18)13-7-8-14(17-10(13)2)11-5-4-6-12(16)9-11/h4-9H,3H2,1-2H3
InChIKeyQLNQNKAQSHGIHI-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.89
Rot. Bonds3

About ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate

ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate (PubChem CID 112561955) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
PubChem CID112561955
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Nameethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccc(Cl)c2)nc1C
InChIInChI=1S/C15H14ClNO2/c1-3-19-15(18)13-7-8-14(17-10(13)2)11-5-4-6-12(16)9-11/h4-9H,3H2,1-2H3
InChIKeyQLNQNKAQSHGIHI-UHFFFAOYSA-N
XLogP3.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate
CID 116533326
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate
CID 115917495
ethyl 6-(3,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917484
ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate
CID 121205199
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
ethyl 5-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986808
ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate
CID 116532844
ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate
CID 71653208
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
ethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate
CID 116532839
ethyl 2-(3-chlorophenyl)-4-propan-2-ylpyrimidine-5-carboxylate
CID 102973010

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate (CID 112561955) is ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(-c2cccc(Cl)c2)nc1C.
What is the InChIKey of ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate?
The InChIKey is QLNQNKAQSHGIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-3-19-15(18)13-7-8-14(17-10(13)2)11-5-4-6-12(16)9-11/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate?
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate has a molecular weight of 275.74 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 112561955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).