6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile

C17H13F2N3O2 — CID 121362151

IUPAC6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile
SMILESC[C@H](O)c1cccc2c1C(F)(F)C(=O)N2Cc1ccc(C#N)cn1
InChIInChI=1S/C17H13F2N3O2/c1-10(23)13-3-2-4-14-15(13)17(18,19)16(24)22(14)9-12-6-5-11(7-20)8-21-12/h2-6,8,10,23H,9H2,1H3/t10-/m0/s1
InChIKeyYGOGCTWMGDAWLP-JTQLQIEISA-N
MW329.31 g/mol
LogP2.65
Rot. Bonds3

About 6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile

6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile (PubChem CID 121362151) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile
PubChem CID121362151
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile
SMILESC[C@H](O)c1cccc2c1C(F)(F)C(=O)N2Cc1ccc(C#N)cn1
InChIInChI=1S/C17H13F2N3O2/c1-10(23)13-3-2-4-14-15(13)17(18,19)16(24)22(14)9-12-6-5-11(7-20)8-21-12/h2-6,8,10,23H,9H2,1H3/t10-/m0/s1
InChIKeyYGOGCTWMGDAWLP-JTQLQIEISA-N
XLogP2.65
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile (CID 121362151) is 6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile is C[C@H](O)c1cccc2c1C(F)(F)C(=O)N2Cc1ccc(C#N)cn1.
What is the InChIKey of 6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is YGOGCTWMGDAWLP-JTQLQIEISA-N. The full InChI is InChI=1S/C17H13F2N3O2/c1-10(23)13-3-2-4-14-15(13)17(18,19)16(24)22(14)9-12-6-5-11(7-20)8-21-12/h2-6,8,10,23H,9H2,1H3/t10-/m0/s1.
What are the key properties of 6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile?
6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 329.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 121362151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).