2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile

C13H6BrCl2FN2 — CID 107533775

IUPAC2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2c(Cl)cccc2Cl)c(F)c1Br
InChIInChI=1S/C13H6BrCl2FN2/c14-11-7(6-18)4-5-10(12(11)17)19-13-8(15)2-1-3-9(13)16/h1-5,19H
InChIKeyRXLVWMNDTYBVBY-UHFFFAOYSA-N
MW360.01 g/mol
LogP5.51
Rot. Bonds2

About 2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile

2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile (PubChem CID 107533775) has the molecular formula C13H6BrCl2FN2 and a molecular weight of 360.01 g/mol. Its IUPAC name is 2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile.

Molecular Properties

Compound Name2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile
PubChem CID107533775
Molecular FormulaC13H6BrCl2FN2
Molecular Weight360.01 g/mol
Exact Mass357.91
IUPAC Name2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2c(Cl)cccc2Cl)c(F)c1Br
InChIInChI=1S/C13H6BrCl2FN2/c14-11-7(6-18)4-5-10(12(11)17)19-13-8(15)2-1-3-9(13)16/h1-5,19H
InChIKeyRXLVWMNDTYBVBY-UHFFFAOYSA-N
XLogP5.51
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.01
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
CID 107533030
2-bromo-4-(2-bromo-6-fluoroanilino)-3-fluorobenzonitrile
CID 107600391
2-bromo-4-(2,6-diethylanilino)-3-fluorobenzonitrile
CID 107533023
2-bromo-4-chloro-3-fluorobenzonitrile
CID 89499906
2-bromo-4-(4-chloro-2-iodoanilino)-3-fluorobenzonitrile
CID 107635251
2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile
CID 107533046
4-bromo-2-(3-chloro-2-fluoroanilino)benzonitrile
CID 114901396
2-bromo-3-fluoro-4-(2-methylbut-3-yn-2-ylamino)benzonitrile
CID 107533718
4-(2,6-difluoroanilino)-2,3-difluorobenzonitrile
CID 107933320
2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile
CID 65467469
2-bromo-3-fluoro-4-[(2-methyl-3-pyridinyl)amino]benzonitrile
CID 107533809
2-bromo-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzonitrile
CID 107849539

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile?
The IUPAC name of 2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile (CID 107533775) is 2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile.
What is the SMILES notation for 2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile?
The canonical SMILES for 2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile is N#Cc1ccc(Nc2c(Cl)cccc2Cl)c(F)c1Br.
What is the InChIKey of 2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile?
The InChIKey is RXLVWMNDTYBVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl2FN2/c14-11-7(6-18)4-5-10(12(11)17)19-13-8(15)2-1-3-9(13)16/h1-5,19H.
What are the key properties of 2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile?
2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile has a molecular weight of 360.01 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,6-dichloroanilino)-3-fluorobenzonitrile is sourced from PubChem (CID 107533775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).