5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid

C11H8N4O3 — CID 113238409

IUPAC5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(Nc1cccnn1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C11H8N4O3/c16-10(14-9-2-1-5-13-15-9)7-3-4-8(11(17)18)12-6-7/h1-6H,(H,17,18)(H,14,15,16)
InChIKeyAELLMCVPQQTSTN-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.82
Rot. Bonds3

About 5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid

5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 113238409) has the molecular formula C11H8N4O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID113238409
Molecular FormulaC11H8N4O3
Molecular Weight244.21 g/mol
Exact Mass244.06
IUPAC Name5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(Nc1cccnn1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C11H8N4O3/c16-10(14-9-2-1-5-13-15-9)7-3-4-8(11(17)18)12-6-7/h1-6H,(H,17,18)(H,14,15,16)
InChIKeyAELLMCVPQQTSTN-UHFFFAOYSA-N
XLogP0.82
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
4-amino-N-pyridazin-3-ylbenzamide
CID 116785969
(E)-3-[6-(pyridazin-3-ylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 116787726
5-(1,2-oxazol-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 62904120
5-[(2,6-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 60725320
4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide
CID 21109039
5-[(2,6-difluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414716
5-[(2-fluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121186
3,4,5-trifluoro-N-pyridazin-3-ylbenzamide
CID 113238408
5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414649
6-[(6-fluoropyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 114036709
pyridine-2,5-dicarboxylic acid
CID 158970171

Frequently Asked Questions

What is the IUPAC name of 5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid (CID 113238409) is 5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid is O=C(Nc1cccnn1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is AELLMCVPQQTSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3/c16-10(14-9-2-1-5-13-15-9)7-3-4-8(11(17)18)12-6-7/h1-6H,(H,17,18)(H,14,15,16).
What are the key properties of 5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid?
5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 244.21 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridazin-3-ylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 113238409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).