2-amino-4-(5-bromothiophen-2-yl)-6-(2-fluorophenyl)pyridine-3-carbonitrile

C16H9BrFN3S — CID 5119571

IUPAC2-amino-4-(5-bromothiophen-2-yl)-6-(2-fluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)s2)cc(-c2ccccc2F)nc1N
InChIInChI=1S/C16H9BrFN3S/c17-15-6-5-14(22-15)10-7-13(21-16(20)11(10)8-19)9-3-1-2-4-12(9)18/h1-7H,(H2,20,21)
InChIKeyPQIUTFCOXJMCBS-UHFFFAOYSA-N
MW374.24 g/mol
LogP4.83
Rot. Bonds2

About 2-amino-4-(5-bromothiophen-2-yl)-6-(2-fluorophenyl)pyridine-3-carbonitrile

2-amino-4-(5-bromothiophen-2-yl)-6-(2-fluorophenyl)pyridine-3-carbonitrile (PubChem CID 5119571) has the molecular formula C16H9BrFN3S and a molecular weight of 374.24 g/mol. Its IUPAC name is 2-amino-4-(5-bromothiophen-2-yl)-6-(2-fluorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-bromothiophen-2-yl)-6-(2-fluorophenyl)pyridine-3-carbonitrile
PubChem CID5119571
Molecular FormulaC16H9BrFN3S
Molecular Weight374.24 g/mol
Exact Mass372.97
IUPAC Name2-amino-4-(5-bromothiophen-2-yl)-6-(2-fluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)s2)cc(-c2ccccc2F)nc1N
InChIInChI=1S/C16H9BrFN3S/c17-15-6-5-14(22-15)10-7-13(21-16(20)11(10)8-19)9-3-1-2-4-12(9)18/h1-7H,(H2,20,21)
InChIKeyPQIUTFCOXJMCBS-UHFFFAOYSA-N
XLogP4.83
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-bromothiophen-2-yl)-6-(2-fluorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-bromothiophen-2-yl)-6-(2-fluorophenyl)pyridine-3-carbonitrile (CID 5119571) is 2-amino-4-(5-bromothiophen-2-yl)-6-(2-fluorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-bromothiophen-2-yl)-6-(2-fluorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-bromothiophen-2-yl)-6-(2-fluorophenyl)pyridine-3-carbonitrile is N#Cc1c(-c2ccc(Br)s2)cc(-c2ccccc2F)nc1N.
What is the InChIKey of 2-amino-4-(5-bromothiophen-2-yl)-6-(2-fluorophenyl)pyridine-3-carbonitrile?
The InChIKey is PQIUTFCOXJMCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrFN3S/c17-15-6-5-14(22-15)10-7-13(21-16(20)11(10)8-19)9-3-1-2-4-12(9)18/h1-7H,(H2,20,21).
What are the key properties of 2-amino-4-(5-bromothiophen-2-yl)-6-(2-fluorophenyl)pyridine-3-carbonitrile?
2-amino-4-(5-bromothiophen-2-yl)-6-(2-fluorophenyl)pyridine-3-carbonitrile has a molecular weight of 374.24 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-bromothiophen-2-yl)-6-(2-fluorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5119571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).