5-(aminomethyl)-2,4-dichlorobenzonitrile

C8H6Cl2N2 — CID 171012671

IUPAC5-(aminomethyl)-2,4-dichlorobenzonitrile
SMILESN#Cc1cc(CN)c(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2N2/c9-7-2-8(10)6(4-12)1-5(7)3-11/h1-2H,3,11H2
InChIKeyCOJNMEWSSISSJX-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.32
Rot. Bonds1

About 5-(aminomethyl)-2,4-dichlorobenzonitrile

5-(aminomethyl)-2,4-dichlorobenzonitrile (PubChem CID 171012671) has the molecular formula C8H6Cl2N2 and a molecular weight of 201.06 g/mol. Its IUPAC name is 5-(aminomethyl)-2,4-dichlorobenzonitrile.

Molecular Properties

Compound Name5-(aminomethyl)-2,4-dichlorobenzonitrile
PubChem CID171012671
Molecular FormulaC8H6Cl2N2
Molecular Weight201.06 g/mol
Exact Mass199.99
IUPAC Name5-(aminomethyl)-2,4-dichlorobenzonitrile
SMILESN#Cc1cc(CN)c(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2N2/c9-7-2-8(10)6(4-12)1-5(7)3-11/h1-2H,3,11H2
InChIKeyCOJNMEWSSISSJX-UHFFFAOYSA-N
XLogP2.32
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(aminomethyl)-4-chloro-2-(trifluoromethyl)benzonitrile
CID 171015389
4-(aminomethyl)-2-chloro-5-nitrobenzonitrile
CID 171015854
methyl 2-[4-(aminomethyl)-2-chloro-5-cyanophenyl]acetate
CID 134658171
5-(aminomethyl)-2-chloro-4-cyanobenzoic acid
CID 131027958
2-chloro-4-pyrazol-1-ylbenzonitrile;(2-chloro-4-pyrazol-1-ylphenyl)methanamine
CID 159825892
2-(5-chloro-4-cyano-2-ethylphenyl)acetic acid
CID 131410900
2-(aminomethyl)-6-chloro-4-methylbenzonitrile
CID 171015696
5-(aminomethyl)-2-bromo-3-chlorobenzonitrile
CID 171012664
2-(aminomethyl)-5-bromo-3-chlorobenzonitrile
CID 171013590
3-(aminomethyl)-5-chloropyridine-2-carbonitrile
CID 122605010
4-(aminomethyl)-2-bromo-3-chlorobenzonitrile
CID 171012928
3-(aminomethyl)-5-chloro-2-nitrobenzonitrile
CID 171015807

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,4-dichlorobenzonitrile?
The IUPAC name of 5-(aminomethyl)-2,4-dichlorobenzonitrile (CID 171012671) is 5-(aminomethyl)-2,4-dichlorobenzonitrile.
What is the SMILES notation for 5-(aminomethyl)-2,4-dichlorobenzonitrile?
The canonical SMILES for 5-(aminomethyl)-2,4-dichlorobenzonitrile is N#Cc1cc(CN)c(Cl)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-2,4-dichlorobenzonitrile?
The InChIKey is COJNMEWSSISSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2/c9-7-2-8(10)6(4-12)1-5(7)3-11/h1-2H,3,11H2.
What are the key properties of 5-(aminomethyl)-2,4-dichlorobenzonitrile?
5-(aminomethyl)-2,4-dichlorobenzonitrile has a molecular weight of 201.06 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,4-dichlorobenzonitrile is sourced from PubChem (CID 171012671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).