[(3-chlorophenyl)-cyanomethyl]azanium chloride

C8H8Cl2N2 — CID 11206472

IUPAC[(3-chlorophenyl)-cyanomethyl]azanium chloride
SMILESN#CC([NH3+])c1cccc(Cl)c1.[Cl-]
InChIInChI=1S/C8H7ClN2.ClH/c9-7-3-1-2-6(4-7)8(11)5-10;/h1-4,8H,11H2;1H
InChIKeyGLYABMSRUGXBPF-UHFFFAOYSA-N
MW203.07 g/mol
LogP-1.85
Rot. Bonds1

About [(3-chlorophenyl)-cyanomethyl]azanium chloride

[(3-chlorophenyl)-cyanomethyl]azanium chloride (PubChem CID 11206472) has the molecular formula C8H8Cl2N2 and a molecular weight of 203.07 g/mol. Its IUPAC name is [(3-chlorophenyl)-cyanomethyl]azanium chloride.

Molecular Properties

Compound Name[(3-chlorophenyl)-cyanomethyl]azanium chloride
PubChem CID11206472
Molecular FormulaC8H8Cl2N2
Molecular Weight203.07 g/mol
Exact Mass202.01
IUPAC Name[(3-chlorophenyl)-cyanomethyl]azanium chloride
SMILESN#CC([NH3+])c1cccc(Cl)c1.[Cl-]
InChIInChI=1S/C8H7ClN2.ClH/c9-7-3-1-2-6(4-7)8(11)5-10;/h1-4,8H,11H2;1H
InChIKeyGLYABMSRUGXBPF-UHFFFAOYSA-N
XLogP-1.85
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 5-1.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(3-chlorophenyl)-2-(methylamino)acetonitrile
CID 28699729
(2R)-2-(3-chlorophenyl)butanenitrile
CID 175457455
[(1R)-1-(3-chlorophenyl)ethyl]cyanamide
CID 81372417
2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile
CID 82085002
(2S)-2-(3-chlorophenyl)-3-oxobutanenitrile
CID 41137898
2-(3-chlorophenyl)pent-4-enenitrile
CID 14326072
2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile
CID 11031921
(2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile
CID 125483548
3-(3-chlorophenyl)-3-hydroxypropanenitrile
CID 13004554
2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile
CID 54887017
2-(3-chlorophenyl)-3-methylhexanenitrile
CID 107886154
(3-chlorophenyl)methanediol
CID 20679602

Frequently Asked Questions

What is the IUPAC name of [(3-chlorophenyl)-cyanomethyl]azanium chloride?
The IUPAC name of [(3-chlorophenyl)-cyanomethyl]azanium chloride (CID 11206472) is [(3-chlorophenyl)-cyanomethyl]azanium chloride.
What is the SMILES notation for [(3-chlorophenyl)-cyanomethyl]azanium chloride?
The canonical SMILES for [(3-chlorophenyl)-cyanomethyl]azanium chloride is N#CC([NH3+])c1cccc(Cl)c1.[Cl-].
What is the InChIKey of [(3-chlorophenyl)-cyanomethyl]azanium chloride?
The InChIKey is GLYABMSRUGXBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2.ClH/c9-7-3-1-2-6(4-7)8(11)5-10;/h1-4,8H,11H2;1H.
What are the key properties of [(3-chlorophenyl)-cyanomethyl]azanium chloride?
[(3-chlorophenyl)-cyanomethyl]azanium chloride has a molecular weight of 203.07 g/mol, XLogP of -1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chlorophenyl)-cyanomethyl]azanium chloride is sourced from PubChem (CID 11206472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).