methyl 5-(4-chlorophenyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxylate

C20H17ClN2O2 — CID 67504846

IUPACmethyl 5-(4-chlorophenyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(CCc2ccccn2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H17ClN2O2/c1-25-20(24)15-12-18(14-5-7-16(21)8-6-14)19(23-13-15)10-9-17-4-2-3-11-22-17/h2-8,11-13H,9-10H2,1H3
InChIKeyGROLBGXGSAZRJP-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.37
Rot. Bonds5

About methyl 5-(4-chlorophenyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxylate

methyl 5-(4-chlorophenyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxylate (PubChem CID 67504846) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is methyl 5-(4-chlorophenyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-chlorophenyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxylate
PubChem CID67504846
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Namemethyl 5-(4-chlorophenyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(CCc2ccccn2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H17ClN2O2/c1-25-20(24)15-12-18(14-5-7-16(21)8-6-14)19(23-13-15)10-9-17-4-2-3-11-22-17/h2-8,11-13H,9-10H2,1H3
InChIKeyGROLBGXGSAZRJP-UHFFFAOYSA-N
XLogP4.37
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-chlorophenyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-(4-chlorophenyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxylate (CID 67504846) is methyl 5-(4-chlorophenyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(4-chlorophenyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(4-chlorophenyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxylate is COC(=O)c1cnc(CCc2ccccn2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of methyl 5-(4-chlorophenyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxylate?
The InChIKey is GROLBGXGSAZRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-25-20(24)15-12-18(14-5-7-16(21)8-6-14)19(23-13-15)10-9-17-4-2-3-11-22-17/h2-8,11-13H,9-10H2,1H3.
What are the key properties of methyl 5-(4-chlorophenyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxylate?
methyl 5-(4-chlorophenyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxylate has a molecular weight of 352.82 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-chlorophenyl)-6-(2-pyridin-2-ylethyl)pyridine-3-carboxylate is sourced from PubChem (CID 67504846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).