2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride

C8H7Cl3N2 — CID 13352447

IUPAC2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride
SMILESCl.N#CC(N)c1c(Cl)cccc1Cl
InChIInChI=1S/C8H6Cl2N2.ClH/c9-5-2-1-3-6(10)8(5)7(12)4-11;/h1-3,7H,12H2;1H
InChIKeyQSHUFYUQFXAUMH-UHFFFAOYSA-N
MW237.52 g/mol
LogP2.94
Rot. Bonds1

About 2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride

2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride (PubChem CID 13352447) has the molecular formula C8H7Cl3N2 and a molecular weight of 237.52 g/mol. Its IUPAC name is 2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride
PubChem CID13352447
Molecular FormulaC8H7Cl3N2
Molecular Weight237.52 g/mol
Exact Mass235.97
IUPAC Name2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride
SMILESCl.N#CC(N)c1c(Cl)cccc1Cl
InChIInChI=1S/C8H6Cl2N2.ClH/c9-5-2-1-3-6(10)8(5)7(12)4-11;/h1-3,7H,12H2;1H
InChIKeyQSHUFYUQFXAUMH-UHFFFAOYSA-N
XLogP2.94
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 28700571
3-(2,6-dichlorophenyl)pentanedinitrile
CID 13034522
(2R)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile
CID 130695932
(2S)-2-(2,6-dichlorophenyl)-3-oxopropanenitrile
CID 93296296
(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride
CID 171217423
(2S)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 94056861
(2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 94056862
(1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine
CID 130739555
2-[(1R)-1-aminopropyl]-3-chlorobenzonitrile
CID 131172920
2-(2,6-dichlorophenyl)-3-oxo-3-phenylpropanenitrile
CID 43333833
(2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile
CID 30082276
cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride
CID 119031584

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride?
The IUPAC name of 2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride (CID 13352447) is 2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride.
What is the SMILES notation for 2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride?
The canonical SMILES for 2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride is Cl.N#CC(N)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride?
The InChIKey is QSHUFYUQFXAUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2.ClH/c9-5-2-1-3-6(10)8(5)7(12)4-11;/h1-3,7H,12H2;1H.
What are the key properties of 2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride?
2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride has a molecular weight of 237.52 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride is sourced from PubChem (CID 13352447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).