methyl 1-(4-chlorophenyl)-2-phenyl-2H-pyridine-5-carboxylate

C19H16ClNO2 — CID 46180010

IUPACmethyl 1-(4-chlorophenyl)-2-phenyl-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CN(c2ccc(Cl)cc2)C(c2ccccc2)C=C1
InChIInChI=1S/C19H16ClNO2/c1-23-19(22)15-7-12-18(14-5-3-2-4-6-14)21(13-15)17-10-8-16(20)9-11-17/h2-13,18H,1H3
InChIKeyZSYJJVAKGMHZTE-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.51
Rot. Bonds3

About methyl 1-(4-chlorophenyl)-2-phenyl-2H-pyridine-5-carboxylate

methyl 1-(4-chlorophenyl)-2-phenyl-2H-pyridine-5-carboxylate (PubChem CID 46180010) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is methyl 1-(4-chlorophenyl)-2-phenyl-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-chlorophenyl)-2-phenyl-2H-pyridine-5-carboxylate
PubChem CID46180010
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Namemethyl 1-(4-chlorophenyl)-2-phenyl-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CN(c2ccc(Cl)cc2)C(c2ccccc2)C=C1
InChIInChI=1S/C19H16ClNO2/c1-23-19(22)15-7-12-18(14-5-3-2-4-6-14)21(13-15)17-10-8-16(20)9-11-17/h2-13,18H,1H3
InChIKeyZSYJJVAKGMHZTE-UHFFFAOYSA-N
XLogP4.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-chlorophenyl)-2-phenyl-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 1-(4-chlorophenyl)-2-phenyl-2H-pyridine-5-carboxylate (CID 46180010) is methyl 1-(4-chlorophenyl)-2-phenyl-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-(4-chlorophenyl)-2-phenyl-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 1-(4-chlorophenyl)-2-phenyl-2H-pyridine-5-carboxylate is COC(=O)C1=CN(c2ccc(Cl)cc2)C(c2ccccc2)C=C1.
What is the InChIKey of methyl 1-(4-chlorophenyl)-2-phenyl-2H-pyridine-5-carboxylate?
The InChIKey is ZSYJJVAKGMHZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2/c1-23-19(22)15-7-12-18(14-5-3-2-4-6-14)21(13-15)17-10-8-16(20)9-11-17/h2-13,18H,1H3.
What are the key properties of methyl 1-(4-chlorophenyl)-2-phenyl-2H-pyridine-5-carboxylate?
methyl 1-(4-chlorophenyl)-2-phenyl-2H-pyridine-5-carboxylate has a molecular weight of 325.80 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-chlorophenyl)-2-phenyl-2H-pyridine-5-carboxylate is sourced from PubChem (CID 46180010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).