7-chloro-1H-indole-2-carbohydrazide

C9H8ClN3O — CID 13466352

IUPAC7-chloro-1H-indole-2-carbohydrazide
SMILESNNC(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C9H8ClN3O/c10-6-3-1-2-5-4-7(9(14)13-11)12-8(5)6/h1-4,12H,11H2,(H,13,14)
InChIKeyZROQGBQKFAAPAM-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.42
Rot. Bonds1

About 7-chloro-1H-indole-2-carbohydrazide

7-chloro-1H-indole-2-carbohydrazide (PubChem CID 13466352) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 7-chloro-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name7-chloro-1H-indole-2-carbohydrazide
PubChem CID13466352
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name7-chloro-1H-indole-2-carbohydrazide
SMILESNNC(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C9H8ClN3O/c10-6-3-1-2-5-4-7(9(14)13-11)12-8(5)6/h1-4,12H,11H2,(H,13,14)
InChIKeyZROQGBQKFAAPAM-UHFFFAOYSA-N
XLogP1.42
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 110848308
7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide
CID 108791658
7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 108804029
N-(4-bromophenyl)-7-chloro-1H-indole-2-carboxamide
CID 108791596
7-chloro-N-naphthalen-2-yl-1H-indole-2-carboxamide
CID 108791741
7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 108791679
7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide
CID 108791704
7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 108791722
7-chloro-N-cyclohexyl-1H-indole-2-carboxamide
CID 108791623
7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 108791683
7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide
CID 108791742
7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide
CID 108791753

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1H-indole-2-carbohydrazide?
The IUPAC name of 7-chloro-1H-indole-2-carbohydrazide (CID 13466352) is 7-chloro-1H-indole-2-carbohydrazide.
What is the SMILES notation for 7-chloro-1H-indole-2-carbohydrazide?
The canonical SMILES for 7-chloro-1H-indole-2-carbohydrazide is NNC(=O)c1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-1H-indole-2-carbohydrazide?
The InChIKey is ZROQGBQKFAAPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-6-3-1-2-5-4-7(9(14)13-11)12-8(5)6/h1-4,12H,11H2,(H,13,14).
What are the key properties of 7-chloro-1H-indole-2-carbohydrazide?
7-chloro-1H-indole-2-carbohydrazide has a molecular weight of 209.64 g/mol, XLogP of 1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1H-indole-2-carbohydrazide is sourced from PubChem (CID 13466352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).