4-(aminomethyl)-3-bromobenzonitrile

C8H7BrN2 — CID 82673286

IUPAC4-(aminomethyl)-3-bromobenzonitrile
SMILESN#Cc1ccc(CN)c(Br)c1
InChIInChI=1S/C8H7BrN2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3H,5,11H2
InChIKeyCEZMTUWRWQVSGS-UHFFFAOYSA-N
MW211.06 g/mol
LogP1.78
Rot. Bonds1

About 4-(aminomethyl)-3-bromobenzonitrile

4-(aminomethyl)-3-bromobenzonitrile (PubChem CID 82673286) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 4-(aminomethyl)-3-bromobenzonitrile.

Molecular Properties

Compound Name4-(aminomethyl)-3-bromobenzonitrile
PubChem CID82673286
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name4-(aminomethyl)-3-bromobenzonitrile
SMILESN#Cc1ccc(CN)c(Br)c1
InChIInChI=1S/C8H7BrN2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3H,5,11H2
InChIKeyCEZMTUWRWQVSGS-UHFFFAOYSA-N
XLogP1.78
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminooxymethyl)-3-bromobenzonitrile
CID 130051911
3-bromo-4-(3-bromopropyl)benzonitrile
CID 130849742
4-(aminomethyl)-3-methoxybenzonitrile
CID 18424090
4-(aminomethyl)-3-methoxybenzonitrile;hydrochloride
CID 18424089
3-bromo-4-iodobenzonitrile
CID 26598355
4-(2-aminoethoxy)-3-bromobenzonitrile
CID 82800339
4-(aminomethyl)-3-(trifluoromethoxy)benzonitrile
CID 46912351
4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride
CID 22476066
4-(aminomethyl)-3-bromoaniline;hydrochloride
CID 122199413
3-bromo-4-(diethoxyphosphorylmethyl)benzonitrile
CID 166609655
4-[2-aminoethyl(methyl)amino]-3-bromobenzonitrile
CID 82809116
4-[(2-amino-4-ethyl-1,3-thiazol-5-yl)methyl]-3-bromobenzonitrile
CID 114002062

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-bromobenzonitrile?
The IUPAC name of 4-(aminomethyl)-3-bromobenzonitrile (CID 82673286) is 4-(aminomethyl)-3-bromobenzonitrile.
What is the SMILES notation for 4-(aminomethyl)-3-bromobenzonitrile?
The canonical SMILES for 4-(aminomethyl)-3-bromobenzonitrile is N#Cc1ccc(CN)c(Br)c1.
What is the InChIKey of 4-(aminomethyl)-3-bromobenzonitrile?
The InChIKey is CEZMTUWRWQVSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3H,5,11H2.
What are the key properties of 4-(aminomethyl)-3-bromobenzonitrile?
4-(aminomethyl)-3-bromobenzonitrile has a molecular weight of 211.06 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-bromobenzonitrile is sourced from PubChem (CID 82673286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).