2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid

C14H12N2O4 — CID 91194054

IUPAC2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid
SMILESCCOC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C14H12N2O4/c1-2-20-14(19)10-4-6-16-12(8-10)11-7-9(13(17)18)3-5-15-11/h3-8H,2H2,1H3,(H,17,18)
InChIKeyNYOYIBKBWJNURJ-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.02
Rot. Bonds4

About 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid

2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid (PubChem CID 91194054) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid
PubChem CID91194054
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid
SMILESCCOC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C14H12N2O4/c1-2-20-14(19)10-4-6-16-12(8-10)11-7-9(13(17)18)3-5-15-11/h3-8H,2H2,1H3,(H,17,18)
InChIKeyNYOYIBKBWJNURJ-UHFFFAOYSA-N
XLogP2.02
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid (CID 91194054) is 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid is CCOC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid?
The InChIKey is NYOYIBKBWJNURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-2-20-14(19)10-4-6-16-12(8-10)11-7-9(13(17)18)3-5-15-11/h3-8H,2H2,1H3,(H,17,18).
What are the key properties of 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid?
2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 91194054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).