6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride

C9H6Cl2N2O — CID 137208298

IUPAC6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride
SMILESON=C(Cl)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C9H6Cl2N2O/c10-5-1-2-6-7(9(11)13-14)4-12-8(6)3-5/h1-4,12,14H
InChIKeyNWVFUKUVTFUEMC-UHFFFAOYSA-N
MW229.07 g/mol
LogP3.20
Rot. Bonds1

About 6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride

6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride (PubChem CID 137208298) has the molecular formula C9H6Cl2N2O and a molecular weight of 229.07 g/mol. Its IUPAC name is 6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride.

Molecular Properties

Compound Name6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride
PubChem CID137208298
Molecular FormulaC9H6Cl2N2O
Molecular Weight229.07 g/mol
Exact Mass227.99
IUPAC Name6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride
SMILESON=C(Cl)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C9H6Cl2N2O/c10-5-1-2-6-7(9(11)13-14)4-12-8(6)3-5/h1-4,12,14H
InChIKeyNWVFUKUVTFUEMC-UHFFFAOYSA-N
XLogP3.20
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 135474608
6-chloro-1H-indole-3-carboxamide
CID 130666489
CID 170645729
CID 170645729
2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid
CID 22556709
7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
CID 54380984
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
(3E)-5-bromo-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137028258
1-(6-chloro-1H-indol-3-yl)-2-(3-chlorophenyl)ethanone
CID 63492171
5-chloro-N'-hydroxy-1H-indole-3-carboximidamide
CID 135742381
(3-chloro-4-fluorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 82875840
(6-chloro-1H-indol-3-yl)-(furan-2-yl)methanone
CID 43463725
(3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 107949781

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride?
The IUPAC name of 6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride (CID 137208298) is 6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride.
What is the SMILES notation for 6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride?
The canonical SMILES for 6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride is ON=C(Cl)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride?
The InChIKey is NWVFUKUVTFUEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O/c10-5-1-2-6-7(9(11)13-14)4-12-8(6)3-5/h1-4,12,14H.
What are the key properties of 6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride?
6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride has a molecular weight of 229.07 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride is sourced from PubChem (CID 137208298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).