ethyl 6-(4-chlorophenyl)-4-phenylpyridine-3-carboxylate

C20H16ClNO2 — CID 50924645

IUPACethyl 6-(4-chlorophenyl)-4-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(Cl)cc2)cc1-c1ccccc1
InChIInChI=1S/C20H16ClNO2/c1-2-24-20(23)18-13-22-19(15-8-10-16(21)11-9-15)12-17(18)14-6-4-3-5-7-14/h3-13H,2H2,1H3
InChIKeyJWSGJQLYCJILEC-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.25
Rot. Bonds4

About ethyl 6-(4-chlorophenyl)-4-phenylpyridine-3-carboxylate

ethyl 6-(4-chlorophenyl)-4-phenylpyridine-3-carboxylate (PubChem CID 50924645) has the molecular formula C20H16ClNO2 and a molecular weight of 337.81 g/mol. Its IUPAC name is ethyl 6-(4-chlorophenyl)-4-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-chlorophenyl)-4-phenylpyridine-3-carboxylate
PubChem CID50924645
Molecular FormulaC20H16ClNO2
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC Nameethyl 6-(4-chlorophenyl)-4-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(Cl)cc2)cc1-c1ccccc1
InChIInChI=1S/C20H16ClNO2/c1-2-24-20(23)18-13-22-19(15-8-10-16(21)11-9-15)12-17(18)14-6-4-3-5-7-14/h3-13H,2H2,1H3
InChIKeyJWSGJQLYCJILEC-UHFFFAOYSA-N
XLogP5.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-chlorophenyl)-4-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(4-chlorophenyl)-4-phenylpyridine-3-carboxylate (CID 50924645) is ethyl 6-(4-chlorophenyl)-4-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-chlorophenyl)-4-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(4-chlorophenyl)-4-phenylpyridine-3-carboxylate is CCOC(=O)c1cnc(-c2ccc(Cl)cc2)cc1-c1ccccc1.
What is the InChIKey of ethyl 6-(4-chlorophenyl)-4-phenylpyridine-3-carboxylate?
The InChIKey is JWSGJQLYCJILEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2/c1-2-24-20(23)18-13-22-19(15-8-10-16(21)11-9-15)12-17(18)14-6-4-3-5-7-14/h3-13H,2H2,1H3.
What are the key properties of ethyl 6-(4-chlorophenyl)-4-phenylpyridine-3-carboxylate?
ethyl 6-(4-chlorophenyl)-4-phenylpyridine-3-carboxylate has a molecular weight of 337.81 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-chlorophenyl)-4-phenylpyridine-3-carboxylate is sourced from PubChem (CID 50924645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).