ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate

C16H16N2O4 — CID 122554521

IUPACethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(C(=O)OCC)ccn2)nc1
InChIInChI=1S/C16H16N2O4/c1-3-21-15(19)11-7-8-17-14(9-11)13-6-5-12(10-18-13)16(20)22-4-2/h5-10H,3-4H2,1-2H3
InChIKeyLNVIXNJRGMLFNC-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.50
Rot. Bonds5

About ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate

ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate (PubChem CID 122554521) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
PubChem CID122554521
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Nameethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(C(=O)OCC)ccn2)nc1
InChIInChI=1S/C16H16N2O4/c1-3-21-15(19)11-7-8-17-14(9-11)13-6-5-12(10-18-13)16(20)22-4-2/h5-10H,3-4H2,1-2H3
InChIKeyLNVIXNJRGMLFNC-UHFFFAOYSA-N
XLogP2.50
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2,6-bis(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;trichlororuthenium
CID 145155892
ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate
CID 122378001
ethyl 2-(1,8-naphthyridin-2-yl)pyridine-4-carboxylate
CID 175253783
ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
CID 156734946
2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate
CID 122383458
methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate
CID 122554528
ethyl 6-butan-2-ylpyridine-3-carboxylate
CID 143474264
ethyl 3-(5-methyl-2-pyridinyl)benzoate
CID 71746517
ethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate
CID 22557799
ethyl 2-(fluoromethyl)pyridine-4-carboxylate
CID 75530092
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
diethyl benzene-1,3-dicarboxylate
CID 12491

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate (CID 122554521) is ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(-c2cc(C(=O)OCC)ccn2)nc1.
What is the InChIKey of ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate?
The InChIKey is LNVIXNJRGMLFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-3-21-15(19)11-7-8-17-14(9-11)13-6-5-12(10-18-13)16(20)22-4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate?
ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate is sourced from PubChem (CID 122554521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).