ethyl 3,6-dipyridin-4-ylpyridine-2-carboxylate

C18H15N3O2 — CID 46317820

IUPACethyl 3,6-dipyridin-4-ylpyridine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccncc2)ccc1-c1ccncc1
InChIInChI=1S/C18H15N3O2/c1-2-23-18(22)17-15(13-5-9-19-10-6-13)3-4-16(21-17)14-7-11-20-12-8-14/h3-12H,2H2,1H3
InChIKeyCRTRXYIKXZJTRP-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.38
Rot. Bonds4

About ethyl 3,6-dipyridin-4-ylpyridine-2-carboxylate

ethyl 3,6-dipyridin-4-ylpyridine-2-carboxylate (PubChem CID 46317820) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is ethyl 3,6-dipyridin-4-ylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,6-dipyridin-4-ylpyridine-2-carboxylate
PubChem CID46317820
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Nameethyl 3,6-dipyridin-4-ylpyridine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccncc2)ccc1-c1ccncc1
InChIInChI=1S/C18H15N3O2/c1-2-23-18(22)17-15(13-5-9-19-10-6-13)3-4-16(21-17)14-7-11-20-12-8-14/h3-12H,2H2,1H3
InChIKeyCRTRXYIKXZJTRP-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

ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate
CID 46317978
tetraethyl 4-pyridin-4-ylpyridine-2,3,5,6-tetracarboxylate
CID 4086243
ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate
CID 112693784
ethyl 6-pyridin-4-ylpyrimidine-4-carboxylate
CID 122239334
methyl 6-methoxy-3-pyridin-4-ylpyridine-2-carboxylate
CID 46317644
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 3-pyridin-4-yl-4-(trifluoromethyl)benzoate
CID 46317774
ethyl 5-pyridin-4-yl-1,2,4-oxadiazole-3-carboxylate
CID 19959194
methyl 3-pyridin-4-yl-6-(trifluoromethyl)pyridine-2-carboxylate
CID 46317652
ethyl 2-methoxy-5-pyridin-4-ylpyridine-4-carboxylate
CID 46317912
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966

Frequently Asked Questions

What is the IUPAC name of ethyl 3,6-dipyridin-4-ylpyridine-2-carboxylate?
The IUPAC name of ethyl 3,6-dipyridin-4-ylpyridine-2-carboxylate (CID 46317820) is ethyl 3,6-dipyridin-4-ylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 3,6-dipyridin-4-ylpyridine-2-carboxylate?
The canonical SMILES for ethyl 3,6-dipyridin-4-ylpyridine-2-carboxylate is CCOC(=O)c1nc(-c2ccncc2)ccc1-c1ccncc1.
What is the InChIKey of ethyl 3,6-dipyridin-4-ylpyridine-2-carboxylate?
The InChIKey is CRTRXYIKXZJTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-2-23-18(22)17-15(13-5-9-19-10-6-13)3-4-16(21-17)14-7-11-20-12-8-14/h3-12H,2H2,1H3.
What are the key properties of ethyl 3,6-dipyridin-4-ylpyridine-2-carboxylate?
ethyl 3,6-dipyridin-4-ylpyridine-2-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 3,6-dipyridin-4-ylpyridine-2-carboxylate is sourced from PubChem (CID 46317820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).