ethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate

C17H18ClNO2 — CID 116532839

IUPACethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)c(-c2cccc(Cl)c2)nc1CC
InChIInChI=1S/C17H18ClNO2/c1-4-15-14(17(20)21-5-2)9-11(3)16(19-15)12-7-6-8-13(18)10-12/h6-10H,4-5H2,1-3H3
InChIKeyNIJWWAAOMVNANI-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.45
Rot. Bonds4

About ethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate

ethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate (PubChem CID 116532839) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is ethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate
PubChem CID116532839
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Nameethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)c(-c2cccc(Cl)c2)nc1CC
InChIInChI=1S/C17H18ClNO2/c1-4-15-14(17(20)21-5-2)9-11(3)16(19-15)12-7-6-8-13(18)10-12/h6-10H,4-5H2,1-3H3
InChIKeyNIJWWAAOMVNANI-UHFFFAOYSA-N
XLogP4.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 116533201
ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate
CID 116532867
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate
CID 121205199
ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate
CID 116533326
ethyl 5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxylate
CID 69189763
ethyl 4-(3-chlorophenyl)-1-hydroxynaphthalene-2-carboxylate
CID 101498227
ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate
CID 116532844
ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate
CID 116532919
ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate
CID 116533372
ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate
CID 107918029
ethyl 3-(3-bromophenyl)-5-(3-chlorophenyl)pyrazine-2-carboxylate
CID 122223726

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate (CID 116532839) is ethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate is CCOC(=O)c1cc(C)c(-c2cccc(Cl)c2)nc1CC.
What is the InChIKey of ethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate?
The InChIKey is NIJWWAAOMVNANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-4-15-14(17(20)21-5-2)9-11(3)16(19-15)12-7-6-8-13(18)10-12/h6-10H,4-5H2,1-3H3.
What are the key properties of ethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate?
ethyl 6-(3-chlorophenyl)-2-ethyl-5-methylpyridine-3-carboxylate has a molecular weight of 303.79 g/mol, XLogP of 4.45, 4 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-ethyl-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 116532839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).