methyl 1,2-diphenyl-2H-pyridine-5-carboxylate

C19H17NO2 — CID 135066714

IUPACmethyl 1,2-diphenyl-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CN(c2ccccc2)C(c2ccccc2)C=C1
InChIInChI=1S/C19H17NO2/c1-22-19(21)16-12-13-18(15-8-4-2-5-9-15)20(14-16)17-10-6-3-7-11-17/h2-14,18H,1H3
InChIKeyFFBUEOAFDLBDOB-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.86
Rot. Bonds3

About methyl 1,2-diphenyl-2H-pyridine-5-carboxylate

methyl 1,2-diphenyl-2H-pyridine-5-carboxylate (PubChem CID 135066714) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 1,2-diphenyl-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1,2-diphenyl-2H-pyridine-5-carboxylate
PubChem CID135066714
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Namemethyl 1,2-diphenyl-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CN(c2ccccc2)C(c2ccccc2)C=C1
InChIInChI=1S/C19H17NO2/c1-22-19(21)16-12-13-18(15-8-4-2-5-9-15)20(14-16)17-10-6-3-7-11-17/h2-14,18H,1H3
InChIKeyFFBUEOAFDLBDOB-UHFFFAOYSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1,2-diphenyl-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 1,2-diphenyl-2H-pyridine-5-carboxylate (CID 135066714) is methyl 1,2-diphenyl-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 1,2-diphenyl-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 1,2-diphenyl-2H-pyridine-5-carboxylate is COC(=O)C1=CN(c2ccccc2)C(c2ccccc2)C=C1.
What is the InChIKey of methyl 1,2-diphenyl-2H-pyridine-5-carboxylate?
The InChIKey is FFBUEOAFDLBDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-22-19(21)16-12-13-18(15-8-4-2-5-9-15)20(14-16)17-10-6-3-7-11-17/h2-14,18H,1H3.
What are the key properties of methyl 1,2-diphenyl-2H-pyridine-5-carboxylate?
methyl 1,2-diphenyl-2H-pyridine-5-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-diphenyl-2H-pyridine-5-carboxylate is sourced from PubChem (CID 135066714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).