3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)indol-2-one

C16H14F2N2O2 — CID 121361922

IUPAC3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)indol-2-one
SMILESC[C@H](O)c1cccc2c1C(F)(F)C(=O)N2Cc1cccnc1
InChIInChI=1S/C16H14F2N2O2/c1-10(21)12-5-2-6-13-14(12)16(17,18)15(22)20(13)9-11-4-3-7-19-8-11/h2-8,10,21H,9H2,1H3/t10-/m0/s1
InChIKeyUQUWPAODEWDBQF-JTQLQIEISA-N
MW304.30 g/mol
LogP2.77
Rot. Bonds3

About 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)indol-2-one

3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)indol-2-one (PubChem CID 121361922) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)indol-2-one
PubChem CID121361922
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC Name3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)indol-2-one
SMILESC[C@H](O)c1cccc2c1C(F)(F)C(=O)N2Cc1cccnc1
InChIInChI=1S/C16H14F2N2O2/c1-10(21)12-5-2-6-13-14(12)16(17,18)15(22)20(13)9-11-4-3-7-19-8-11/h2-8,10,21H,9H2,1H3/t10-/m0/s1
InChIKeyUQUWPAODEWDBQF-JTQLQIEISA-N
XLogP2.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361851
1-[(6-chloro-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361823
3,3-difluoro-1-[(2-fluoro-4-pyridinyl)methyl]-4-[(1R)-1-hydroxyethyl]indol-2-one
CID 121362144
1-[(6-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361825
3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(1,5-naphthyridin-2-ylmethyl)indol-2-one
CID 121362035
1-[[4-(difluoromethyl)-2-pyridinyl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361889
1-[(4-bromo-2-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361983
3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indol-2-one
CID 121362070
6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile
CID 121362151
3,3-difluoro-1-[(5-fluoro-4-methoxy-2-pyridinyl)methyl]-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361942
2-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]-5-fluoropyridine-3-carbonitrile
CID 121361929
3,3-difluoro-1-[[5-(triazol-2-yl)-3-pyridinyl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]indol-2-one
CID 121361899

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)indol-2-one?
The IUPAC name of 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)indol-2-one (CID 121361922) is 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)indol-2-one.
What is the SMILES notation for 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)indol-2-one?
The canonical SMILES for 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)indol-2-one is C[C@H](O)c1cccc2c1C(F)(F)C(=O)N2Cc1cccnc1.
What is the InChIKey of 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)indol-2-one?
The InChIKey is UQUWPAODEWDBQF-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-10(21)12-5-2-6-13-14(12)16(17,18)15(22)20(13)9-11-4-3-7-19-8-11/h2-8,10,21H,9H2,1H3/t10-/m0/s1.
What are the key properties of 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)indol-2-one?
3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)indol-2-one has a molecular weight of 304.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1-(pyridin-3-ylmethyl)indol-2-one is sourced from PubChem (CID 121361922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).