[3-(5-fluoroindol-1-yl)-5-hydroxyphenyl]-pyridin-3-ylmethanone

C20H13FN2O2 — CID 68845970

IUPAC[3-(5-fluoroindol-1-yl)-5-hydroxyphenyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(O)cc(-n2ccc3cc(F)ccc32)c1
InChIInChI=1S/C20H13FN2O2/c21-16-3-4-19-13(8-16)5-7-23(19)17-9-15(10-18(24)11-17)20(25)14-2-1-6-22-12-14/h1-12,24H
InChIKeyQYOPBBMJTBBQBW-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.10
Rot. Bonds3

About [3-(5-fluoroindol-1-yl)-5-hydroxyphenyl]-pyridin-3-ylmethanone

[3-(5-fluoroindol-1-yl)-5-hydroxyphenyl]-pyridin-3-ylmethanone (PubChem CID 68845970) has the molecular formula C20H13FN2O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is [3-(5-fluoroindol-1-yl)-5-hydroxyphenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(5-fluoroindol-1-yl)-5-hydroxyphenyl]-pyridin-3-ylmethanone
PubChem CID68845970
Molecular FormulaC20H13FN2O2
Molecular Weight332.33 g/mol
Exact Mass332.10
IUPAC Name[3-(5-fluoroindol-1-yl)-5-hydroxyphenyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(O)cc(-n2ccc3cc(F)ccc32)c1
InChIInChI=1S/C20H13FN2O2/c21-16-3-4-19-13(8-16)5-7-23(19)17-9-15(10-18(24)11-17)20(25)14-2-1-6-22-12-14/h1-12,24H
InChIKeyQYOPBBMJTBBQBW-UHFFFAOYSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoroindol-1-yl)-5-hydroxyphenyl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(5-fluoroindol-1-yl)-5-hydroxyphenyl]-pyridin-3-ylmethanone (CID 68845970) is [3-(5-fluoroindol-1-yl)-5-hydroxyphenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(5-fluoroindol-1-yl)-5-hydroxyphenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(5-fluoroindol-1-yl)-5-hydroxyphenyl]-pyridin-3-ylmethanone is O=C(c1cccnc1)c1cc(O)cc(-n2ccc3cc(F)ccc32)c1.
What is the InChIKey of [3-(5-fluoroindol-1-yl)-5-hydroxyphenyl]-pyridin-3-ylmethanone?
The InChIKey is QYOPBBMJTBBQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O2/c21-16-3-4-19-13(8-16)5-7-23(19)17-9-15(10-18(24)11-17)20(25)14-2-1-6-22-12-14/h1-12,24H.
What are the key properties of [3-(5-fluoroindol-1-yl)-5-hydroxyphenyl]-pyridin-3-ylmethanone?
[3-(5-fluoroindol-1-yl)-5-hydroxyphenyl]-pyridin-3-ylmethanone has a molecular weight of 332.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoroindol-1-yl)-5-hydroxyphenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 68845970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).