ethyl 2-cyclopropyl-6-(3-methylphenyl)pyridine-3-carboxylate

C18H19NO2 — CID 116533555

IUPACethyl 2-cyclopropyl-6-(3-methylphenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccc(C)c2)nc1C1CC1
InChIInChI=1S/C18H19NO2/c1-3-21-18(20)15-9-10-16(19-17(15)13-7-8-13)14-6-4-5-12(2)11-14/h4-6,9-11,13H,3,7-8H2,1-2H3
InChIKeyZYKSHKBAIJALEA-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.11
Rot. Bonds4

About ethyl 2-cyclopropyl-6-(3-methylphenyl)pyridine-3-carboxylate

ethyl 2-cyclopropyl-6-(3-methylphenyl)pyridine-3-carboxylate (PubChem CID 116533555) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-6-(3-methylphenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-6-(3-methylphenyl)pyridine-3-carboxylate
PubChem CID116533555
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Nameethyl 2-cyclopropyl-6-(3-methylphenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccc(C)c2)nc1C1CC1
InChIInChI=1S/C18H19NO2/c1-3-21-18(20)15-9-10-16(19-17(15)13-7-8-13)14-6-4-5-12(2)11-14/h4-6,9-11,13H,3,7-8H2,1-2H3
InChIKeyZYKSHKBAIJALEA-UHFFFAOYSA-N
XLogP4.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-6-(3-methylphenyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-cyclopropyl-6-(3-methylphenyl)pyridine-3-carboxylate (CID 116533555) is ethyl 2-cyclopropyl-6-(3-methylphenyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-cyclopropyl-6-(3-methylphenyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-cyclopropyl-6-(3-methylphenyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(-c2cccc(C)c2)nc1C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-6-(3-methylphenyl)pyridine-3-carboxylate?
The InChIKey is ZYKSHKBAIJALEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-21-18(20)15-9-10-16(19-17(15)13-7-8-13)14-6-4-5-12(2)11-14/h4-6,9-11,13H,3,7-8H2,1-2H3.
What are the key properties of ethyl 2-cyclopropyl-6-(3-methylphenyl)pyridine-3-carboxylate?
ethyl 2-cyclopropyl-6-(3-methylphenyl)pyridine-3-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-6-(3-methylphenyl)pyridine-3-carboxylate is sourced from PubChem (CID 116533555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).