2-amino-6-(2-bromophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile

C18H10BrF2N3 — CID 5117882

IUPAC2-amino-6-(2-bromophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc(F)ccc2F)cc(-c2ccccc2Br)nc1N
InChIInChI=1S/C18H10BrF2N3/c19-15-4-2-1-3-11(15)17-8-12(14(9-22)18(23)24-17)13-7-10(20)5-6-16(13)21/h1-8H,(H2,23,24)
InChIKeyTUJMQPMQITUEJV-UHFFFAOYSA-N
MW386.20 g/mol
LogP4.91
Rot. Bonds2

About 2-amino-6-(2-bromophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile

2-amino-6-(2-bromophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile (PubChem CID 5117882) has the molecular formula C18H10BrF2N3 and a molecular weight of 386.20 g/mol. Its IUPAC name is 2-amino-6-(2-bromophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-bromophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile
PubChem CID5117882
Molecular FormulaC18H10BrF2N3
Molecular Weight386.20 g/mol
Exact Mass385.00
IUPAC Name2-amino-6-(2-bromophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc(F)ccc2F)cc(-c2ccccc2Br)nc1N
InChIInChI=1S/C18H10BrF2N3/c19-15-4-2-1-3-11(15)17-8-12(14(9-22)18(23)24-17)13-7-10(20)5-6-16(13)21/h1-8H,(H2,23,24)
InChIKeyTUJMQPMQITUEJV-UHFFFAOYSA-N
XLogP4.91
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.20
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-bromophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-bromophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile (CID 5117882) is 2-amino-6-(2-bromophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-bromophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-bromophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile is N#Cc1c(-c2cc(F)ccc2F)cc(-c2ccccc2Br)nc1N.
What is the InChIKey of 2-amino-6-(2-bromophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile?
The InChIKey is TUJMQPMQITUEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrF2N3/c19-15-4-2-1-3-11(15)17-8-12(14(9-22)18(23)24-17)13-7-10(20)5-6-16(13)21/h1-8H,(H2,23,24).
What are the key properties of 2-amino-6-(2-bromophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile?
2-amino-6-(2-bromophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile has a molecular weight of 386.20 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-bromophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5117882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).