2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile

C13H7BrClFN2 — CID 103479550

IUPAC2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Nc1cccc(Cl)c1Br
InChIInChI=1S/C13H7BrClFN2/c14-13-9(15)3-1-6-12(13)18-11-5-2-4-10(16)8(11)7-17/h1-6,18H
InChIKeyRRMLEILZTRRQOH-UHFFFAOYSA-N
MW325.57 g/mol
LogP4.86
Rot. Bonds2

About 2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile

2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile (PubChem CID 103479550) has the molecular formula C13H7BrClFN2 and a molecular weight of 325.57 g/mol. Its IUPAC name is 2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile
PubChem CID103479550
Molecular FormulaC13H7BrClFN2
Molecular Weight325.57 g/mol
Exact Mass323.95
IUPAC Name2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Nc1cccc(Cl)c1Br
InChIInChI=1S/C13H7BrClFN2/c14-13-9(15)3-1-6-12(13)18-11-5-2-4-10(16)8(11)7-17/h1-6,18H
InChIKeyRRMLEILZTRRQOH-UHFFFAOYSA-N
XLogP4.86
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.57
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile
CID 104723792
2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile
CID 78911086
2-(2-cyanoanilino)-6-fluorobenzonitrile
CID 43580771
2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile
CID 103583178
2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile
CID 79513028
2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile
CID 82798506
2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile
CID 62946987
2-(4-chloro-2,5-dimethoxyanilino)-6-fluorobenzonitrile
CID 78916069
2-(4-aminoanilino)-6-fluorobenzonitrile
CID 43580495
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580270
2-(3-bromo-4-fluoroanilino)-6-chlorobenzonitrile
CID 104778816

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile?
The IUPAC name of 2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile (CID 103479550) is 2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile?
The canonical SMILES for 2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile is N#Cc1c(F)cccc1Nc1cccc(Cl)c1Br.
What is the InChIKey of 2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile?
The InChIKey is RRMLEILZTRRQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2/c14-13-9(15)3-1-6-12(13)18-11-5-2-4-10(16)8(11)7-17/h1-6,18H.
What are the key properties of 2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile?
2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile has a molecular weight of 325.57 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile is sourced from PubChem (CID 103479550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).