5-chloro-N'-hydroxy-1H-indole-3-carboximidamide

C9H8ClN3O — CID 135742381

IUPAC5-chloro-N'-hydroxy-1H-indole-3-carboximidamide
SMILESNC(=NO)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C9H8ClN3O/c10-5-1-2-8-6(3-5)7(4-12-8)9(11)13-14/h1-4,12,14H,(H2,11,13)
InChIKeyNQUMMDGIACLAOM-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.92
Rot. Bonds1

About 5-chloro-N'-hydroxy-1H-indole-3-carboximidamide

5-chloro-N'-hydroxy-1H-indole-3-carboximidamide (PubChem CID 135742381) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 5-chloro-N'-hydroxy-1H-indole-3-carboximidamide.

Molecular Properties

Compound Name5-chloro-N'-hydroxy-1H-indole-3-carboximidamide
PubChem CID135742381
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name5-chloro-N'-hydroxy-1H-indole-3-carboximidamide
SMILESNC(=NO)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C9H8ClN3O/c10-5-1-2-8-6(3-5)7(4-12-8)9(11)13-14/h1-4,12,14H,(H2,11,13)
InChIKeyNQUMMDGIACLAOM-UHFFFAOYSA-N
XLogP1.92
TPSA74.40 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 ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-N'-hydroxy-1H-indole-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-5-methyl-1H-indole-3-carboximidamide
CID 135742377
6-chloro-4-oxo-1H-quinoline-3-carboxamide
CID 601266
[(E)-1-(5-chloro-1H-indol-3-yl)ethylideneamino]thiourea
CID 135822467
6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137208298
5-chloro-1H-indole-3-carbonyl azide
CID 156566059
(3E)-5-bromo-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137028258
propan-2-yl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate
CID 10333108
CID 162765558
CID 162765558
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183
(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
CID 63877670
5-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 69197000
(5-chloro-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101343

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-hydroxy-1H-indole-3-carboximidamide?
The IUPAC name of 5-chloro-N'-hydroxy-1H-indole-3-carboximidamide (CID 135742381) is 5-chloro-N'-hydroxy-1H-indole-3-carboximidamide.
What is the SMILES notation for 5-chloro-N'-hydroxy-1H-indole-3-carboximidamide?
The canonical SMILES for 5-chloro-N'-hydroxy-1H-indole-3-carboximidamide is NC(=NO)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N'-hydroxy-1H-indole-3-carboximidamide?
The InChIKey is NQUMMDGIACLAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-5-1-2-8-6(3-5)7(4-12-8)9(11)13-14/h1-4,12,14H,(H2,11,13).
What are the key properties of 5-chloro-N'-hydroxy-1H-indole-3-carboximidamide?
5-chloro-N'-hydroxy-1H-indole-3-carboximidamide has a molecular weight of 209.64 g/mol, XLogP of 1.92, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-hydroxy-1H-indole-3-carboximidamide is sourced from PubChem (CID 135742381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).