2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile

C14H9BrCl2N2 — CID 104723788

IUPAC2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile
SMILESCc1cc(Br)c(Nc2cccc(Cl)c2C#N)cc1Cl
InChIInChI=1S/C14H9BrCl2N2/c1-8-5-10(15)14(6-12(8)17)19-13-4-2-3-11(16)9(13)7-18/h2-6,19H,1H3
InChIKeyPMHYIXMNSPVSIM-UHFFFAOYSA-N
MW356.05 g/mol
LogP5.68
Rot. Bonds2

About 2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile

2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile (PubChem CID 104723788) has the molecular formula C14H9BrCl2N2 and a molecular weight of 356.05 g/mol. Its IUPAC name is 2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile.

Molecular Properties

Compound Name2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile
PubChem CID104723788
Molecular FormulaC14H9BrCl2N2
Molecular Weight356.05 g/mol
Exact Mass353.93
IUPAC Name2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile
SMILESCc1cc(Br)c(Nc2cccc(Cl)c2C#N)cc1Cl
InChIInChI=1S/C14H9BrCl2N2/c1-8-5-10(15)14(6-12(8)17)19-13-4-2-3-11(16)9(13)7-18/h2-6,19H,1H3
InChIKeyPMHYIXMNSPVSIM-UHFFFAOYSA-N
XLogP5.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.05
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile
CID 104723792
2-(3-bromo-2-methylanilino)-6-chlorobenzonitrile
CID 107635100
2-chloro-6-(2,4-dibromo-5-methoxyanilino)benzonitrile
CID 103414163
3-(2-bromo-5-chloro-4-methylanilino)benzonitrile
CID 102817277
4-(2-bromo-5-chloro-4-methylanilino)-3-chlorobenzonitrile
CID 104723763
2-(2-bromo-5-chloro-4-methylanilino)-4-methylbenzonitrile
CID 104723789
5-amino-2-(2-bromo-5-chloro-4-methylanilino)benzonitrile
CID 104722313
2-chloro-6-(2,6-dichloroanilino)benzonitrile
CID 65468244
2-(3-bromo-4-fluoroanilino)-6-chlorobenzonitrile
CID 104778816
2-(3-bromo-4-iodoanilino)-6-chlorobenzonitrile
CID 114262114
2-chloro-6-[4-methyl-3-(trifluoromethyl)anilino]benzonitrile
CID 63511488
4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile
CID 104723770

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile?
The IUPAC name of 2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile (CID 104723788) is 2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile.
What is the SMILES notation for 2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile?
The canonical SMILES for 2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile is Cc1cc(Br)c(Nc2cccc(Cl)c2C#N)cc1Cl.
What is the InChIKey of 2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile?
The InChIKey is PMHYIXMNSPVSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2N2/c1-8-5-10(15)14(6-12(8)17)19-13-4-2-3-11(16)9(13)7-18/h2-6,19H,1H3.
What are the key properties of 2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile?
2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile has a molecular weight of 356.05 g/mol, XLogP of 5.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile is sourced from PubChem (CID 104723788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).