2-(2,5-dibromoanilino)-5-methylbenzonitrile

C14H10Br2N2 — CID 114016820

IUPAC2-(2,5-dibromoanilino)-5-methylbenzonitrile
SMILESCc1ccc(Nc2cc(Br)ccc2Br)c(C#N)c1
InChIInChI=1S/C14H10Br2N2/c1-9-2-5-13(10(6-9)8-17)18-14-7-11(15)3-4-12(14)16/h2-7,18H,1H3
InChIKeyWXLZUPVYZNNXBW-UHFFFAOYSA-N
MW366.06 g/mol
LogP5.14
Rot. Bonds2

About 2-(2,5-dibromoanilino)-5-methylbenzonitrile

2-(2,5-dibromoanilino)-5-methylbenzonitrile (PubChem CID 114016820) has the molecular formula C14H10Br2N2 and a molecular weight of 366.06 g/mol. Its IUPAC name is 2-(2,5-dibromoanilino)-5-methylbenzonitrile.

Molecular Properties

Compound Name2-(2,5-dibromoanilino)-5-methylbenzonitrile
PubChem CID114016820
Molecular FormulaC14H10Br2N2
Molecular Weight366.06 g/mol
Exact Mass363.92
IUPAC Name2-(2,5-dibromoanilino)-5-methylbenzonitrile
SMILESCc1ccc(Nc2cc(Br)ccc2Br)c(C#N)c1
InChIInChI=1S/C14H10Br2N2/c1-9-2-5-13(10(6-9)8-17)18-14-7-11(15)3-4-12(14)16/h2-7,18H,1H3
InChIKeyWXLZUPVYZNNXBW-UHFFFAOYSA-N
XLogP5.14
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.06
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(4-methylanilino)benzonitrile
CID 114890405
2-(2-bromo-5-methylanilino)-5-nitrobenzonitrile
CID 82756888
2-(4-bromo-2-cyanoanilino)-5-methylbenzoic acid
CID 82703669
2-(3,5-dimethylanilino)-5-methylbenzonitrile
CID 107926938
2-(4-bromo-5-fluoro-2-methylanilino)-5-methylbenzonitrile
CID 107927887
2-(4-bromo-2-cyanoanilino)-4-methylbenzoic acid
CID 82704272
2-bromo-5-methylbenzonitrile
CID 12557201
2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile
CID 82756889
5-bromo-2-(2,4-dibromo-5-methoxyanilino)benzonitrile
CID 103414235
2-[1-(4-bromophenyl)ethylamino]-5-methylbenzonitrile
CID 107927205
5-methyl-2-(2,3,4,5,6-pentafluoroanilino)benzonitrile
CID 107927707
2-(4-ethylanilino)-5-methylbenzonitrile
CID 114016768

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromoanilino)-5-methylbenzonitrile?
The IUPAC name of 2-(2,5-dibromoanilino)-5-methylbenzonitrile (CID 114016820) is 2-(2,5-dibromoanilino)-5-methylbenzonitrile.
What is the SMILES notation for 2-(2,5-dibromoanilino)-5-methylbenzonitrile?
The canonical SMILES for 2-(2,5-dibromoanilino)-5-methylbenzonitrile is Cc1ccc(Nc2cc(Br)ccc2Br)c(C#N)c1.
What is the InChIKey of 2-(2,5-dibromoanilino)-5-methylbenzonitrile?
The InChIKey is WXLZUPVYZNNXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2/c1-9-2-5-13(10(6-9)8-17)18-14-7-11(15)3-4-12(14)16/h2-7,18H,1H3.
What are the key properties of 2-(2,5-dibromoanilino)-5-methylbenzonitrile?
2-(2,5-dibromoanilino)-5-methylbenzonitrile has a molecular weight of 366.06 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromoanilino)-5-methylbenzonitrile is sourced from PubChem (CID 114016820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).