5-(1H-indol-2-yl)pyridazine-4-carboxylic acid

C13H9N3O2 — CID 82388435

IUPAC5-(1H-indol-2-yl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1cnncc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C13H9N3O2/c17-13(18)10-7-15-14-6-9(10)12-5-8-3-1-2-4-11(8)16-12/h1-7,16H,(H,17,18)
InChIKeyYVTILQDNAZBXRY-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.32
Rot. Bonds2

About 5-(1H-indol-2-yl)pyridazine-4-carboxylic acid

5-(1H-indol-2-yl)pyridazine-4-carboxylic acid (PubChem CID 82388435) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-(1H-indol-2-yl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5-(1H-indol-2-yl)pyridazine-4-carboxylic acid
PubChem CID82388435
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name5-(1H-indol-2-yl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1cnncc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C13H9N3O2/c17-13(18)10-7-15-14-6-9(10)12-5-8-3-1-2-4-11(8)16-12/h1-7,16H,(H,17,18)
InChIKeyYVTILQDNAZBXRY-UHFFFAOYSA-N
XLogP2.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(1H-indol-2-yl)benzoic acid
CID 150652093
3-(1H-indol-2-yl)-2-methyl-5-phenylbenzoic acid
CID 174627540
5-(2-bromophenyl)pyridazine-4-carboxylic acid
CID 117127535
2-(2-iodophenyl)-1H-indole
CID 12996175
2,5-bis(1H-indole-2-carbonyl)terephthalic acid
CID 70529357
5-(1H-indol-5-yl)pyridazine-4-carboxylic acid
CID 82388436
5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid
CID 110481756
2-(1H-indol-2-yl)phenol;sulfuric acid
CID 155109187
[2-(1H-indol-2-yl)phenyl] acetate
CID 155537678
3-(1H-indol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 139653334
2-[5-(1H-indol-2-yl)pyrazin-2-yl]acetic acid
CID 82382099
ethane;1H-indole-2-carboxylic acid
CID 91052830

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-2-yl)pyridazine-4-carboxylic acid?
The IUPAC name of 5-(1H-indol-2-yl)pyridazine-4-carboxylic acid (CID 82388435) is 5-(1H-indol-2-yl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5-(1H-indol-2-yl)pyridazine-4-carboxylic acid?
The canonical SMILES for 5-(1H-indol-2-yl)pyridazine-4-carboxylic acid is O=C(O)c1cnncc1-c1cc2ccccc2[nH]1.
What is the InChIKey of 5-(1H-indol-2-yl)pyridazine-4-carboxylic acid?
The InChIKey is YVTILQDNAZBXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(18)10-7-15-14-6-9(10)12-5-8-3-1-2-4-11(8)16-12/h1-7,16H,(H,17,18).
What are the key properties of 5-(1H-indol-2-yl)pyridazine-4-carboxylic acid?
5-(1H-indol-2-yl)pyridazine-4-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-2-yl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 82388435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).