2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile

C16H11F3N4O — CID 145012852

IUPAC2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(NCCO)nc1-c1c[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C16H11F3N4O/c17-9-4-10-11(7-22-15(10)12(18)5-9)14-8(6-20)3-13(19)16(23-14)21-1-2-24/h3-5,7,22,24H,1-2H2,(H,21,23)
InChIKeyZLQSJEONPAAEIC-UHFFFAOYSA-N
MW332.29 g/mol
LogP2.92
Rot. Bonds4

About 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile

2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile (PubChem CID 145012852) has the molecular formula C16H11F3N4O and a molecular weight of 332.29 g/mol. Its IUPAC name is 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile
PubChem CID145012852
Molecular FormulaC16H11F3N4O
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC Name2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(NCCO)nc1-c1c[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C16H11F3N4O/c17-9-4-10-11(7-22-15(10)12(18)5-9)14-8(6-20)3-13(19)16(23-14)21-1-2-24/h3-5,7,22,24H,1-2H2,(H,21,23)
InChIKeyZLQSJEONPAAEIC-UHFFFAOYSA-N
XLogP2.92
TPSA84.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile (CID 145012852) is 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile is N#Cc1cc(F)c(NCCO)nc1-c1c[nH]c2c(F)cc(F)cc12.
What is the InChIKey of 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile?
The InChIKey is ZLQSJEONPAAEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O/c17-9-4-10-11(7-22-15(10)12(18)5-9)14-8(6-20)3-13(19)16(23-14)21-1-2-24/h3-5,7,22,24H,1-2H2,(H,21,23).
What are the key properties of 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile?
2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile has a molecular weight of 332.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 145012852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).