3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1H-indole-7-carboxylic acid

C15H12N4O2 — CID 135554797

IUPAC3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1H-indole-7-carboxylic acid
SMILESO=C(O)c1cccc2c(/C=N/Nc3ccccn3)c[nH]c12
InChIInChI=1S/C15H12N4O2/c20-15(21)12-5-3-4-11-10(8-17-14(11)12)9-18-19-13-6-1-2-7-16-13/h1-9,17H,(H,16,19)(H,20,21)/b18-9+
InChIKeyCZLWMMVCNBVVOJ-GIJQJNRQSA-N
MW280.29 g/mol
LogP2.71
Rot. Bonds4

About 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1H-indole-7-carboxylic acid

3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1H-indole-7-carboxylic acid (PubChem CID 135554797) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1H-indole-7-carboxylic acid
PubChem CID135554797
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1H-indole-7-carboxylic acid
SMILESO=C(O)c1cccc2c(/C=N/Nc3ccccn3)c[nH]c12
InChIInChI=1S/C15H12N4O2/c20-15(21)12-5-3-4-11-10(8-17-14(11)12)9-18-19-13-6-1-2-7-16-13/h1-9,17H,(H,16,19)(H,20,21)/b18-9+
InChIKeyCZLWMMVCNBVVOJ-GIJQJNRQSA-N
XLogP2.71
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1H-Indole-7-carboxylic acid
CID 74281
4-[(2E)-2-(1H-indol-3-ylmethylene)hydrazino]benzoic acid
CID 135603851
2-((2-((1H-Indazol-6-yl)amino)pyrimidin-4-yl)amino)benzoic acid
CID 23647264
2-{[2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647265
6-chloro-5-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxylic acid
CID 137660838
3-(1H-indol-5-yl)benzoic Acid
CID 4135877
6-(1H-indol-5-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71601059
3-({[(2E)-2-(1H-indol-3-ylmethylene)hydrazino]carbonothioyl}amino)benzoic acid
CID 135439728
3-[5-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]-1H-indol-3-yl]-4-fluorobenzoic acid
CID 145963307
4-[3-(1H-indol-3-ylmethyl)-5-phenyl-1,2,4-triazin-6-yl]benzoic acid
CID 168282493
4-[3-(1H-indol-3-ylmethyl)-6-phenyl-1,2,4-triazin-5-yl]benzoic acid
CID 168287473
2-(1H-indol-5-yl)pyridine-4-carboxylic acid
CID 137662000

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1H-indole-7-carboxylic acid?
The IUPAC name of 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1H-indole-7-carboxylic acid (CID 135554797) is 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1H-indole-7-carboxylic acid.
What is the SMILES notation for 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1H-indole-7-carboxylic acid?
The canonical SMILES for 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1H-indole-7-carboxylic acid is O=C(O)c1cccc2c(/C=N/Nc3ccccn3)c[nH]c12.
What is the InChIKey of 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1H-indole-7-carboxylic acid?
The InChIKey is CZLWMMVCNBVVOJ-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-15(21)12-5-3-4-11-10(8-17-14(11)12)9-18-19-13-6-1-2-7-16-13/h1-9,17H,(H,16,19)(H,20,21)/b18-9+.
What are the key properties of 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1H-indole-7-carboxylic acid?
3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1H-indole-7-carboxylic acid has a molecular weight of 280.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1H-indole-7-carboxylic acid is sourced from PubChem (CID 135554797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).