3-hydroxy-1H-pyridin-4-one;indigane

C5H8InNO2 — CID 173352828

IUPAC3-hydroxy-1H-pyridin-4-one;indigane
SMILESO=c1cc[nH]cc1O.[InH3]
InChIInChI=1S/C5H5NO2.In.3H/c7-4-1-2-6-3-5(4)8;;;;/h1-3,8H,(H,6,7);;;;
InChIKeyFRPJPBSECIYZJK-UHFFFAOYSA-N
MW228.94 g/mol
LogP-1.10
Rot. Bonds

About 3-hydroxy-1H-pyridin-4-one;indigane

3-hydroxy-1H-pyridin-4-one;indigane (PubChem CID 173352828) has the molecular formula C5H8InNO2 and a molecular weight of 228.94 g/mol. Its IUPAC name is 3-hydroxy-1H-pyridin-4-one;indigane.

Molecular Properties

Compound Name3-hydroxy-1H-pyridin-4-one;indigane
PubChem CID173352828
Molecular FormulaC5H8InNO2
Molecular Weight228.94 g/mol
Exact Mass228.96
IUPAC Name3-hydroxy-1H-pyridin-4-one;indigane
SMILESO=c1cc[nH]cc1O.[InH3]
InChIInChI=1S/C5H5NO2.In.3H/c7-4-1-2-6-3-5(4)8;;;;/h1-3,8H,(H,6,7);;;;
InChIKeyFRPJPBSECIYZJK-UHFFFAOYSA-N
XLogP-1.10
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.94
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1H-pyridin-4-one;indigane?
The IUPAC name of 3-hydroxy-1H-pyridin-4-one;indigane (CID 173352828) is 3-hydroxy-1H-pyridin-4-one;indigane.
What is the SMILES notation for 3-hydroxy-1H-pyridin-4-one;indigane?
The canonical SMILES for 3-hydroxy-1H-pyridin-4-one;indigane is O=c1cc[nH]cc1O.[InH3].
What is the InChIKey of 3-hydroxy-1H-pyridin-4-one;indigane?
The InChIKey is FRPJPBSECIYZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.In.3H/c7-4-1-2-6-3-5(4)8;;;;/h1-3,8H,(H,6,7);;;;.
What are the key properties of 3-hydroxy-1H-pyridin-4-one;indigane?
3-hydroxy-1H-pyridin-4-one;indigane has a molecular weight of 228.94 g/mol, XLogP of -1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1H-pyridin-4-one;indigane is sourced from PubChem (CID 173352828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).