ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate

C38H32N4O4 — CID 139126464

IUPACethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc(-c2ccccn2)c1.CCOC(=O)c1cc(-c2ccccc2)nc(-c2ccccn2)c1
InChIInChI=1S/2C19H16N2O2/c2*1-2-23-19(22)15-12-17(14-8-4-3-5-9-14)21-18(13-15)16-10-6-7-11-20-16/h2*3-13H,2H2,1H3
InChIKeyYTSMKBZCPQPDEX-UHFFFAOYSA-N
MW608.70 g/mol
LogP7.97
Rot. Bonds8

About ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate

ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate (PubChem CID 139126464) has the molecular formula C38H32N4O4 and a molecular weight of 608.70 g/mol. Its IUPAC name is ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate
PubChem CID139126464
Molecular FormulaC38H32N4O4
Molecular Weight608.70 g/mol
Exact Mass608.24
IUPAC Nameethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc(-c2ccccn2)c1.CCOC(=O)c1cc(-c2ccccc2)nc(-c2ccccn2)c1
InChIInChI=1S/2C19H16N2O2/c2*1-2-23-19(22)15-12-17(14-8-4-3-5-9-14)21-18(13-15)16-10-6-7-11-20-16/h2*3-13H,2H2,1H3
InChIKeyYTSMKBZCPQPDEX-UHFFFAOYSA-N
XLogP7.97
TPSA104.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.70
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4'-(Methoxycarbonyl)-[2,2'-bipyridine]-4-carboxylic acid
CID 25138011
4,4'-Dimethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 326419
methyl 4'-(phenethylcarbamoyl)-[2,2'-bipyridine]-4-carboxylate (N4)
CID 121595845
Diethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 12088573
Ethyl 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzoate
CID 73347280
2,2':6',2''-Terpyridine-4'-carboxylic Acid
CID 2762749
Methyl 2,2':6',2''-Terpyridine-4'-carboxylate
CID 10589647
Bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II)
CID 10985370
Diethyl [2,2'-Bipyridine]-5,5'-dicarboxylate
CID 12227215
Dimethyl 2,2'-Bipyridine-5,5'-dicarboxylate
CID 12970938
Trimethyl 2,2':6',2''-Terpyridine-4,4',4''-tricarboxylate
CID 66776557
ethyl 1-benzyl-5-pyridin-3-yl-3,4-dihydro-2H-benzo[h][1,6]naphthyridine-9-carboxylate
CID 76314491

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate?
The IUPAC name of ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate (CID 139126464) is ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate?
The canonical SMILES for ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccccc2)nc(-c2ccccn2)c1.CCOC(=O)c1cc(-c2ccccc2)nc(-c2ccccn2)c1.
What is the InChIKey of ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate?
The InChIKey is YTSMKBZCPQPDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16N2O2/c2*1-2-23-19(22)15-12-17(14-8-4-3-5-9-14)21-18(13-15)16-10-6-7-11-20-16/h2*3-13H,2H2,1H3.
What are the key properties of ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate?
ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate has a molecular weight of 608.70 g/mol, XLogP of 7.97, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate is sourced from PubChem (CID 139126464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).