1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid

C14H11N3O3 — CID 115909656

IUPAC1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2C(=O)c1ccnnc1
InChIInChI=1S/C14H11N3O3/c18-13(11-3-5-15-16-8-11)17-6-4-9-7-10(14(19)20)1-2-12(9)17/h1-3,5,7-8H,4,6H2,(H,19,20)
InChIKeyLXNOENCXFVSUAN-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.38
Rot. Bonds2

About 1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid

1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 115909656) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID115909656
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2C(=O)c1ccnnc1
InChIInChI=1S/C14H11N3O3/c18-13(11-3-5-15-16-8-11)17-6-4-9-7-10(14(19)20)1-2-12(9)17/h1-3,5,7-8H,4,6H2,(H,19,20)
InChIKeyLXNOENCXFVSUAN-UHFFFAOYSA-N
XLogP1.38
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349346
1-(2-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 103790198
1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 115496318
1-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349830
1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 43217662
1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61181121
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737345

Frequently Asked Questions

What is the IUPAC name of 1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid (CID 115909656) is 1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CCN2C(=O)c1ccnnc1.
What is the InChIKey of 1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is LXNOENCXFVSUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-13(11-3-5-15-16-8-11)17-6-4-9-7-10(14(19)20)1-2-12(9)17/h1-3,5,7-8H,4,6H2,(H,19,20).
What are the key properties of 1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 115909656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).