3-amino-6,7-dichloro-1,3-dihydroindol-2-one;hydrochloride

C8H7Cl3N2O — CID 50988661

IUPAC3-amino-6,7-dichloro-1,3-dihydroindol-2-one;hydrochloride
SMILESCl.NC1C(=O)Nc2c1ccc(Cl)c2Cl
InChIInChI=1S/C8H6Cl2N2O.ClH/c9-4-2-1-3-6(11)8(13)12-7(3)5(4)10;/h1-2,6H,11H2,(H,12,13);1H
InChIKeyVSJZQHWDPBECBV-UHFFFAOYSA-N
MW253.52 g/mol
LogP2.37
Rot. Bonds

About 3-amino-6,7-dichloro-1,3-dihydroindol-2-one;hydrochloride

3-amino-6,7-dichloro-1,3-dihydroindol-2-one;hydrochloride (PubChem CID 50988661) has the molecular formula C8H7Cl3N2O and a molecular weight of 253.52 g/mol. Its IUPAC name is 3-amino-6,7-dichloro-1,3-dihydroindol-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-6,7-dichloro-1,3-dihydroindol-2-one;hydrochloride
PubChem CID50988661
Molecular FormulaC8H7Cl3N2O
Molecular Weight253.52 g/mol
Exact Mass251.96
IUPAC Name3-amino-6,7-dichloro-1,3-dihydroindol-2-one;hydrochloride
SMILESCl.NC1C(=O)Nc2c1ccc(Cl)c2Cl
InChIInChI=1S/C8H6Cl2N2O.ClH/c9-4-2-1-3-6(11)8(13)12-7(3)5(4)10;/h1-2,6H,11H2,(H,12,13);1H
InChIKeyVSJZQHWDPBECBV-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.52
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-Chloro-1,3-dihydro-2H-indol-2-one
CID 3731010
(E/Z)-6,7-Dichloro-3-(4-fluorobenzylidene)indolin-2-one
CID 45029061
N-(3,4-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216648
4,7-Dichloro-1,3-dihydro-2H-indol-2-one
CID 21282084
3-amino-6-chloro-2,3-dihydro-1H-indol-2-one hydrochloride
CID 43810830
3-amino-7-chloro-2,3-dihydro-1H-indol-2-one hydrochloride
CID 56773583
3-amino-4-chloro-2,3-dihydro-1H-indol-2-one
CID 82234481
8-Chlro-1-tetrahydronorharmanone
CID 118799025
5,6-Dichloroindolin-2-one
CID 10943539
6,7-Dichloro-3-nitroso-1,3-dihydroindol-2-one
CID 91268679
7-Chloro-3-fluoro-1,3-dihydroindol-2-one
CID 141523002
7-Chloro-4-fluoro-3-(methylamino)-1,3-dihydroindol-2-one
CID 170020463

Frequently Asked Questions

What is the IUPAC name of 3-amino-6,7-dichloro-1,3-dihydroindol-2-one;hydrochloride?
The IUPAC name of 3-amino-6,7-dichloro-1,3-dihydroindol-2-one;hydrochloride (CID 50988661) is 3-amino-6,7-dichloro-1,3-dihydroindol-2-one;hydrochloride.
What is the SMILES notation for 3-amino-6,7-dichloro-1,3-dihydroindol-2-one;hydrochloride?
The canonical SMILES for 3-amino-6,7-dichloro-1,3-dihydroindol-2-one;hydrochloride is Cl.NC1C(=O)Nc2c1ccc(Cl)c2Cl.
What is the InChIKey of 3-amino-6,7-dichloro-1,3-dihydroindol-2-one;hydrochloride?
The InChIKey is VSJZQHWDPBECBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2O.ClH/c9-4-2-1-3-6(11)8(13)12-7(3)5(4)10;/h1-2,6H,11H2,(H,12,13);1H.
What are the key properties of 3-amino-6,7-dichloro-1,3-dihydroindol-2-one;hydrochloride?
3-amino-6,7-dichloro-1,3-dihydroindol-2-one;hydrochloride has a molecular weight of 253.52 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,7-dichloro-1,3-dihydroindol-2-one;hydrochloride is sourced from PubChem (CID 50988661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).