4-bromo-2-(methylamino)benzonitrile

C8H7BrN2 — CID 24903089

IUPAC4-bromo-2-(methylamino)benzonitrile
SMILESCNc1cc(Br)ccc1C#N
InChIInChI=1S/C8H7BrN2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4,11H,1H3
InChIKeyCDRZTDLGHZNPEG-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.36
Rot. Bonds1

About 4-bromo-2-(methylamino)benzonitrile

4-bromo-2-(methylamino)benzonitrile (PubChem CID 24903089) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 4-bromo-2-(methylamino)benzonitrile.

Molecular Properties

Compound Name4-bromo-2-(methylamino)benzonitrile
PubChem CID24903089
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name4-bromo-2-(methylamino)benzonitrile
SMILESCNc1cc(Br)ccc1C#N
InChIInChI=1S/C8H7BrN2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4,11H,1H3
InChIKeyCDRZTDLGHZNPEG-UHFFFAOYSA-N
XLogP2.36
TPSA35.82 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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(hydroxyamino)benzonitrile
CID 130500579
N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide
CID 107799477
4-bromo-2-(1-cyanopropan-2-ylamino)benzonitrile
CID 107798003
4-bromo-2-(butan-2-ylamino)benzonitrile
CID 114901241
4-bromo-2-(2,2-dimethylbutylamino)benzonitrile
CID 103461745
4-bromo-2-[1-(4-bromophenyl)ethylamino]benzonitrile
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4-bromo-2-(1,1-difluoropropan-2-ylamino)benzonitrile
CID 107797548
N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide
CID 107801239
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene
CID 107798443
4-bromo-2-[4-(dimethylamino)anilino]benzonitrile
CID 114901483
2-(5-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107798558

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(methylamino)benzonitrile?
The IUPAC name of 4-bromo-2-(methylamino)benzonitrile (CID 24903089) is 4-bromo-2-(methylamino)benzonitrile.
What is the SMILES notation for 4-bromo-2-(methylamino)benzonitrile?
The canonical SMILES for 4-bromo-2-(methylamino)benzonitrile is CNc1cc(Br)ccc1C#N.
What is the InChIKey of 4-bromo-2-(methylamino)benzonitrile?
The InChIKey is CDRZTDLGHZNPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4,11H,1H3.
What are the key properties of 4-bromo-2-(methylamino)benzonitrile?
4-bromo-2-(methylamino)benzonitrile has a molecular weight of 211.06 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(methylamino)benzonitrile is sourced from PubChem (CID 24903089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).