2-(2,4-dibromoanilino)acetonitrile

C8H6Br2N2 — CID 61473879

IUPAC2-(2,4-dibromoanilino)acetonitrile
SMILESN#CCNc1ccc(Br)cc1Br
InChIInChI=1S/C8H6Br2N2/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,12H,4H2
InChIKeyRIXWPBDPPXMCHJ-UHFFFAOYSA-N
MW289.96 g/mol
LogP3.15
Rot. Bonds2

About 2-(2,4-dibromoanilino)acetonitrile

2-(2,4-dibromoanilino)acetonitrile (PubChem CID 61473879) has the molecular formula C8H6Br2N2 and a molecular weight of 289.96 g/mol. Its IUPAC name is 2-(2,4-dibromoanilino)acetonitrile.

Molecular Properties

Compound Name2-(2,4-dibromoanilino)acetonitrile
PubChem CID61473879
Molecular FormulaC8H6Br2N2
Molecular Weight289.96 g/mol
Exact Mass287.89
IUPAC Name2-(2,4-dibromoanilino)acetonitrile
SMILESN#CCNc1ccc(Br)cc1Br
InChIInChI=1S/C8H6Br2N2/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,12H,4H2
InChIKeyRIXWPBDPPXMCHJ-UHFFFAOYSA-N
XLogP3.15
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.96
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-N-(2-methylbutyl)aniline
CID 43683023
2,4-dibromo-N-(3-methylbut-2-enyl)aniline
CID 107899791
3-[(2,4-dibromoanilino)methyl]pentan-3-ol
CID 114492916
3-(2,5-dibromoanilino)-2-methylpropanenitrile
CID 61466960
5-bromo-2-(prop-2-ynylamino)benzonitrile
CID 82708252
3-bromo-4-(prop-2-ynylamino)benzonitrile
CID 63952279
3-bromo-4-(2,4-dibromoanilino)benzonitrile
CID 82797505
2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline
CID 43683051
3-[(2,4-dibromoanilino)methyl]-2-fluorobenzonitrile
CID 107114487
methyl (E)-4-(2,4-dibromoanilino)-2-methylbut-2-enoate
CID 103247272
2,4-dibromo-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43683008
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromoanilino)acetonitrile?
The IUPAC name of 2-(2,4-dibromoanilino)acetonitrile (CID 61473879) is 2-(2,4-dibromoanilino)acetonitrile.
What is the SMILES notation for 2-(2,4-dibromoanilino)acetonitrile?
The canonical SMILES for 2-(2,4-dibromoanilino)acetonitrile is N#CCNc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromoanilino)acetonitrile?
The InChIKey is RIXWPBDPPXMCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2N2/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,12H,4H2.
What are the key properties of 2-(2,4-dibromoanilino)acetonitrile?
2-(2,4-dibromoanilino)acetonitrile has a molecular weight of 289.96 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromoanilino)acetonitrile is sourced from PubChem (CID 61473879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).