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

C13H10N2O4 — CID 25138011

IUPAC2-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid
SMILESCOC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C13H10N2O4/c1-19-13(18)9-3-5-15-11(7-9)10-6-8(12(16)17)2-4-14-10/h2-7H,1H3,(H,16,17)
InChIKeyGDIPAQOCWAFNMZ-UHFFFAOYSA-N
MW258.23 g/mol
LogP1.63
Rot. Bonds3

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

2-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid (PubChem CID 25138011) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 2-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid
PubChem CID25138011
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name2-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid
SMILESCOC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C13H10N2O4/c1-19-13(18)9-3-5-15-11(7-9)10-6-8(12(16)17)2-4-14-10/h2-7H,1H3,(H,16,17)
InChIKeyGDIPAQOCWAFNMZ-UHFFFAOYSA-N
XLogP1.63
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid (CID 25138011) is 2-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid is COC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid?
The InChIKey is GDIPAQOCWAFNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c1-19-13(18)9-3-5-15-11(7-9)10-6-8(12(16)17)2-4-14-10/h2-7H,1H3,(H,16,17).
What are the key properties of 2-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid?
2-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid has a molecular weight of 258.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 25138011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).