3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid

C12H8N2O3 — CID 86178170

IUPAC3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(c1ccccn1)c1cccnc1C(=O)O
InChIInChI=1S/C12H8N2O3/c15-11(9-5-1-2-6-13-9)8-4-3-7-14-10(8)12(16)17/h1-7H,(H,16,17)
InChIKeyDPBNEIASQSBPBW-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.41
Rot. Bonds3

About 3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid

3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid (PubChem CID 86178170) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid
PubChem CID86178170
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(c1ccccn1)c1cccnc1C(=O)O
InChIInChI=1S/C12H8N2O3/c15-11(9-5-1-2-6-13-9)8-4-3-7-14-10(8)12(16)17/h1-7H,(H,16,17)
InChIKeyDPBNEIASQSBPBW-UHFFFAOYSA-N
XLogP1.41
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid (CID 86178170) is 3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid is O=C(c1ccccn1)c1cccnc1C(=O)O.
What is the InChIKey of 3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is DPBNEIASQSBPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c15-11(9-5-1-2-6-13-9)8-4-3-7-14-10(8)12(16)17/h1-7H,(H,16,17).
What are the key properties of 3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid?
3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 228.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 86178170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).