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

C14H11N3O3 — CID 104669848

IUPAC1-(pyridazine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2ccnnc2)c2ccccc21
InChIInChI=1S/C14H11N3O3/c18-13(9-5-6-15-16-7-9)17-8-11(14(19)20)10-3-1-2-4-12(10)17/h1-7,11H,8H2,(H,19,20)
InChIKeyLWUICEFBFVCCPL-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.31
Rot. Bonds2

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

1-(pyridazine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 104669848) 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-3-carboxylic acid.

Molecular Properties

Compound Name1-(pyridazine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID104669848
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name1-(pyridazine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2ccnnc2)c2ccccc21
InChIInChI=1S/C14H11N3O3/c18-13(9-5-6-15-16-7-9)17-8-11(14(19)20)10-3-1-2-4-12(10)17/h1-7,11H,8H2,(H,19,20)
InChIKeyLWUICEFBFVCCPL-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-iodobenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564506
1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691674
(3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 124609676
(3R)-1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124575454
1-(2-bromobenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564888
1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691484
1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80562800
1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691790
1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564509
1-but-2-ynoyl-2,3-dihydroindole-3-carboxylic acid
CID 107986860
(3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574015
1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691469

Frequently Asked Questions

What is the IUPAC name of 1-(pyridazine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(pyridazine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 104669848) is 1-(pyridazine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(pyridazine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(pyridazine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid is O=C(O)C1CN(C(=O)c2ccnnc2)c2ccccc21.
What is the InChIKey of 1-(pyridazine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is LWUICEFBFVCCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-13(9-5-6-15-16-7-9)17-8-11(14(19)20)10-3-1-2-4-12(10)17/h1-7,11H,8H2,(H,19,20).
What are the key properties of 1-(pyridazine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(pyridazine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.31, 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-3-carboxylic acid is sourced from PubChem (CID 104669848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).