2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile

C12H6BrClFN3 — CID 103583178

IUPAC2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Nc1ncc(Br)cc1Cl
InChIInChI=1S/C12H6BrClFN3/c13-7-4-9(14)12(17-6-7)18-11-3-1-2-10(15)8(11)5-16/h1-4,6H,(H,17,18)
InChIKeyYRUXQXUPPVGRGN-UHFFFAOYSA-N
MW326.56 g/mol
LogP4.25
Rot. Bonds2

About 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile

2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile (PubChem CID 103583178) has the molecular formula C12H6BrClFN3 and a molecular weight of 326.56 g/mol. Its IUPAC name is 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile
PubChem CID103583178
Molecular FormulaC12H6BrClFN3
Molecular Weight326.56 g/mol
Exact Mass324.94
IUPAC Name2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Nc1ncc(Br)cc1Cl
InChIInChI=1S/C12H6BrClFN3/c13-7-4-9(14)12(17-6-7)18-11-3-1-2-10(15)8(11)5-16/h1-4,6H,(H,17,18)
InChIKeyYRUXQXUPPVGRGN-UHFFFAOYSA-N
XLogP4.25
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.56
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-chloro-N-(5-chloro-2-fluorophenyl)pyridin-2-amine
CID 103583157
2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile
CID 103479550
2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile
CID 79513028
2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile
CID 104723792
5-bromo-3-chloro-N-(3-fluorophenyl)pyridin-2-amine
CID 103583086
2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile
CID 78911086
2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine
CID 103583411
2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile
CID 62946987
5-bromo-3-chloro-N-(2-methoxyphenyl)pyridin-2-amine
CID 103583055
5-bromo-3-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 103583036
2-(2-bromo-4-cyanoanilino)-6-fluorobenzonitrile
CID 82798506

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile?
The IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile (CID 103583178) is 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile is N#Cc1c(F)cccc1Nc1ncc(Br)cc1Cl.
What is the InChIKey of 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile?
The InChIKey is YRUXQXUPPVGRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClFN3/c13-7-4-9(14)12(17-6-7)18-11-3-1-2-10(15)8(11)5-16/h1-4,6H,(H,17,18).
What are the key properties of 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile?
2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile has a molecular weight of 326.56 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile is sourced from PubChem (CID 103583178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).