4-amino-2-chlorobenzonitrile;ethane

C9H11ClN2 — CID 144555120

IUPAC4-amino-2-chlorobenzonitrile;ethane
SMILESCC.N#Cc1ccc(N)cc1Cl
InChIInChI=1S/C7H5ClN2.C2H6/c8-7-3-6(10)2-1-5(7)4-9;1-2/h1-3H,10H2;1-2H3
InChIKeyIYMOAJBANVFSHO-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.82
Rot. Bonds

About 4-amino-2-chlorobenzonitrile;ethane

4-amino-2-chlorobenzonitrile;ethane (PubChem CID 144555120) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 4-amino-2-chlorobenzonitrile;ethane.

Molecular Properties

Compound Name4-amino-2-chlorobenzonitrile;ethane
PubChem CID144555120
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name4-amino-2-chlorobenzonitrile;ethane
SMILESCC.N#Cc1ccc(N)cc1Cl
InChIInChI=1S/C7H5ClN2.C2H6/c8-7-3-6(10)2-1-5(7)4-9;1-2/h1-3H,10H2;1-2H3
InChIKeyIYMOAJBANVFSHO-UHFFFAOYSA-N
XLogP2.82
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenoxy)-2-chlorobenzonitrile
CID 62945049
4-(4-amino-2-chlorophenyl)but-3-ynenitrile
CID 170474486
5-amino-2-(2-chloro-4-methylphenoxy)benzonitrile
CID 62670401
4-[(4-aminophenyl)methoxy]-2-chlorobenzonitrile
CID 62945870
1-(4-aminophenyl)-3-(3-chloro-4-cyanophenyl)urea
CID 43469099
2-chloro-4-propan-2-ylbenzonitrile
CID 59856292
4-amino-2-(2-methylphenyl)benzonitrile
CID 70133478
4-amino-2-fluorobenzonitrile;dihydrofluoride
CID 146317579
4-(4-amino-2-chlorophenoxy)-2-bromo-3-fluorobenzonitrile
CID 107537476
4-amino-2-(2-hydroxypropan-2-yl)benzonitrile
CID 142587216
5-amino-3-chloro-2-methoxybenzonitrile
CID 131296171
3,4-dichloroaniline
CID 7257

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chlorobenzonitrile;ethane?
The IUPAC name of 4-amino-2-chlorobenzonitrile;ethane (CID 144555120) is 4-amino-2-chlorobenzonitrile;ethane.
What is the SMILES notation for 4-amino-2-chlorobenzonitrile;ethane?
The canonical SMILES for 4-amino-2-chlorobenzonitrile;ethane is CC.N#Cc1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chlorobenzonitrile;ethane?
The InChIKey is IYMOAJBANVFSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2.C2H6/c8-7-3-6(10)2-1-5(7)4-9;1-2/h1-3H,10H2;1-2H3.
What are the key properties of 4-amino-2-chlorobenzonitrile;ethane?
4-amino-2-chlorobenzonitrile;ethane has a molecular weight of 182.65 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chlorobenzonitrile;ethane is sourced from PubChem (CID 144555120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).