2-(2-bromoanilino)-3-methylbenzonitrile

C14H11BrN2 — CID 107106356

IUPAC2-(2-bromoanilino)-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1Nc1ccccc1Br
InChIInChI=1S/C14H11BrN2/c1-10-5-4-6-11(9-16)14(10)17-13-8-3-2-7-12(13)15/h2-8,17H,1H3
InChIKeyPWQDQKTZMZXELW-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.37
Rot. Bonds2

About 2-(2-bromoanilino)-3-methylbenzonitrile

2-(2-bromoanilino)-3-methylbenzonitrile (PubChem CID 107106356) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-(2-bromoanilino)-3-methylbenzonitrile.

Molecular Properties

Compound Name2-(2-bromoanilino)-3-methylbenzonitrile
PubChem CID107106356
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name2-(2-bromoanilino)-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1Nc1ccccc1Br
InChIInChI=1S/C14H11BrN2/c1-10-5-4-6-11(9-16)14(10)17-13-8-3-2-7-12(13)15/h2-8,17H,1H3
InChIKeyPWQDQKTZMZXELW-UHFFFAOYSA-N
XLogP4.37
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethylanilino)benzonitrile
CID 29041998
3-methyl-2-(naphthalen-1-ylamino)benzonitrile
CID 107106270
2-(4-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107107135
2-(5-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107798558
2-(2-bromoanilino)benzonitrile
CID 28602037
2-(2-amino-6-methylanilino)benzonitrile
CID 113333675
2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile
CID 107106440
2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile
CID 107107220
2-(5-chloro-2-methylanilino)-3-methylbenzonitrile
CID 107106403
2-(5-amino-2-chloroanilino)-3-methylbenzonitrile
CID 107111345
2-bromo-6-(2-ethyl-6-methylanilino)benzonitrile
CID 114880413
2-bromo-6-(2-bromoanilino)benzonitrile
CID 114880504

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-3-methylbenzonitrile?
The IUPAC name of 2-(2-bromoanilino)-3-methylbenzonitrile (CID 107106356) is 2-(2-bromoanilino)-3-methylbenzonitrile.
What is the SMILES notation for 2-(2-bromoanilino)-3-methylbenzonitrile?
The canonical SMILES for 2-(2-bromoanilino)-3-methylbenzonitrile is Cc1cccc(C#N)c1Nc1ccccc1Br.
What is the InChIKey of 2-(2-bromoanilino)-3-methylbenzonitrile?
The InChIKey is PWQDQKTZMZXELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c1-10-5-4-6-11(9-16)14(10)17-13-8-3-2-7-12(13)15/h2-8,17H,1H3.
What are the key properties of 2-(2-bromoanilino)-3-methylbenzonitrile?
2-(2-bromoanilino)-3-methylbenzonitrile has a molecular weight of 287.16 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-3-methylbenzonitrile is sourced from PubChem (CID 107106356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).