3-(2-hydroxyphenyl)-9H-pyridazino[3,4-b]indole-6-carboxylic acid

C17H11N3O3 — CID 167081094

IUPAC3-(2-hydroxyphenyl)-9H-pyridazino[3,4-b]indole-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c3nnc(-c4ccccc4O)cc3c2c1
InChIInChI=1S/C17H11N3O3/c21-15-4-2-1-3-10(15)14-8-12-11-7-9(17(22)23)5-6-13(11)18-16(12)20-19-14/h1-8,21H,(H,18,20)(H,22,23)
InChIKeyCEYWRIQIORHGQY-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.18
Rot. Bonds2

About 3-(2-hydroxyphenyl)-9H-pyridazino[3,4-b]indole-6-carboxylic acid

3-(2-hydroxyphenyl)-9H-pyridazino[3,4-b]indole-6-carboxylic acid (PubChem CID 167081094) has the molecular formula C17H11N3O3 and a molecular weight of 305.29 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-9H-pyridazino[3,4-b]indole-6-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-9H-pyridazino[3,4-b]indole-6-carboxylic acid
PubChem CID167081094
Molecular FormulaC17H11N3O3
Molecular Weight305.29 g/mol
Exact Mass305.08
IUPAC Name3-(2-hydroxyphenyl)-9H-pyridazino[3,4-b]indole-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c3nnc(-c4ccccc4O)cc3c2c1
InChIInChI=1S/C17H11N3O3/c21-15-4-2-1-3-10(15)14-8-12-11-7-9(17(22)23)5-6-13(11)18-16(12)20-19-14/h1-8,21H,(H,18,20)(H,22,23)
InChIKeyCEYWRIQIORHGQY-UHFFFAOYSA-N
XLogP3.18
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-(4-Methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 44624425
6-(2-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 135658923
3-(4-ethylphenyl)-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 135845557
4-[4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoic acid
CID 29090408
4-[6-(4-hydroxyphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoic acid
CID 135636204
3-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1H-indazole-5-carboxylic acid
CID 21939200
4-[[5-[4-(Trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 44624295
4-[[5-(4-Fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59186316
4-[[5-(3-Fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59186529
4-[6-(2-methoxyphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoic acid
CID 29096322
3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
CID 135845548
3-[3-(trifluoromethyl)phenyl]-9H-pyridazino[3,4-b]indole-8-carboxylic acid
CID 154232338

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-9H-pyridazino[3,4-b]indole-6-carboxylic acid?
The IUPAC name of 3-(2-hydroxyphenyl)-9H-pyridazino[3,4-b]indole-6-carboxylic acid (CID 167081094) is 3-(2-hydroxyphenyl)-9H-pyridazino[3,4-b]indole-6-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxyphenyl)-9H-pyridazino[3,4-b]indole-6-carboxylic acid?
The canonical SMILES for 3-(2-hydroxyphenyl)-9H-pyridazino[3,4-b]indole-6-carboxylic acid is O=C(O)c1ccc2[nH]c3nnc(-c4ccccc4O)cc3c2c1.
What is the InChIKey of 3-(2-hydroxyphenyl)-9H-pyridazino[3,4-b]indole-6-carboxylic acid?
The InChIKey is CEYWRIQIORHGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3/c21-15-4-2-1-3-10(15)14-8-12-11-7-9(17(22)23)5-6-13(11)18-16(12)20-19-14/h1-8,21H,(H,18,20)(H,22,23).
What are the key properties of 3-(2-hydroxyphenyl)-9H-pyridazino[3,4-b]indole-6-carboxylic acid?
3-(2-hydroxyphenyl)-9H-pyridazino[3,4-b]indole-6-carboxylic acid has a molecular weight of 305.29 g/mol, XLogP of 3.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-9H-pyridazino[3,4-b]indole-6-carboxylic acid is sourced from PubChem (CID 167081094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).