ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate

C18H15N3O2 — CID 2762750

IUPACethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C18H15N3O2/c1-2-23-18(22)13-11-16(14-7-3-5-9-19-14)21-17(12-13)15-8-4-6-10-20-15/h3-12H,2H2,1H3
InChIKeyCOUKWHIHLXNYAH-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.38
Rot. Bonds4

About ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate

ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate (PubChem CID 2762750) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate
PubChem CID2762750
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Nameethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C18H15N3O2/c1-2-23-18(22)13-11-16(14-7-3-5-9-19-14)21-17(12-13)15-8-4-6-10-20-15/h3-12H,2H2,1H3
InChIKeyCOUKWHIHLXNYAH-UHFFFAOYSA-N
XLogP3.38
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl quinoline-6-carboxylate
CID 736812
Hepronicate
CID 3588
(2,2'-Bipyridine)-5,5'-dicarboxylic acid
CID 192744
2,2'-Bipyridine-3,3'-dicarboxylic Acid
CID 681885
Methyl 6-quinoxalinecarboxylate
CID 2781239
2-(Pyridin-2-yl)quinoline-4-carboxylic acid
CID 24103
2,2'-Bipyridine-4-Carboxylic Acid
CID 9942424
4'-(Methoxycarbonyl)-[2,2'-bipyridine]-4-carboxylic acid
CID 25138011
4'-[(2-Phenylethyl)carbamoyl][2,2'-Bipyridine]-4-Carboxylic Acid
CID 45378188
6-Quinolinecarboxylic acid, ethyl ester
CID 94670
(2,2'-Bipyridine)-5-carboxylic acid
CID 192752
4,4'-Dimethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 326419

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate?
The IUPAC name of ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate (CID 2762750) is ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate?
The canonical SMILES for ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1.
What is the InChIKey of ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate?
The InChIKey is COUKWHIHLXNYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-2-23-18(22)13-11-16(14-7-3-5-9-19-14)21-17(12-13)15-8-4-6-10-20-15/h3-12H,2H2,1H3.
What are the key properties of ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate?
ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate has a molecular weight of 305.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate is sourced from PubChem (CID 2762750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).