3-hydroxy-1H-pyridin-2-one;titanium

C5H5NO2Ti — CID 87617255

IUPAC3-hydroxy-1H-pyridin-2-one;titanium
SMILESO=c1[nH]cccc1O.[Ti]
InChIInChI=1S/C5H5NO2.Ti/c7-4-2-1-3-6-5(4)8;/h1-3,7H,(H,6,8);
InChIKeyPDAVALFEVOBEOJ-UHFFFAOYSA-N
MW158.97 g/mol
LogP0.08
Rot. Bonds

About 3-hydroxy-1H-pyridin-2-one;titanium

3-hydroxy-1H-pyridin-2-one;titanium (PubChem CID 87617255) has the molecular formula C5H5NO2Ti and a molecular weight of 158.97 g/mol. Its IUPAC name is 3-hydroxy-1H-pyridin-2-one;titanium.

Molecular Properties

Compound Name3-hydroxy-1H-pyridin-2-one;titanium
PubChem CID87617255
Molecular FormulaC5H5NO2Ti
Molecular Weight158.97 g/mol
Exact Mass158.98
IUPAC Name3-hydroxy-1H-pyridin-2-one;titanium
SMILESO=c1[nH]cccc1O.[Ti]
InChIInChI=1S/C5H5NO2.Ti/c7-4-2-1-3-6-5(4)8;/h1-3,7H,(H,6,8);
InChIKeyPDAVALFEVOBEOJ-UHFFFAOYSA-N
XLogP0.08
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.97
LogP ≤ 50.08
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-2-one;titanium?
The IUPAC name of 3-hydroxy-1H-pyridin-2-one;titanium (CID 87617255) is 3-hydroxy-1H-pyridin-2-one;titanium.
What is the SMILES notation for 3-hydroxy-1H-pyridin-2-one;titanium?
The canonical SMILES for 3-hydroxy-1H-pyridin-2-one;titanium is O=c1[nH]cccc1O.[Ti].
What is the InChIKey of 3-hydroxy-1H-pyridin-2-one;titanium?
The InChIKey is PDAVALFEVOBEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.Ti/c7-4-2-1-3-6-5(4)8;/h1-3,7H,(H,6,8);.
What are the key properties of 3-hydroxy-1H-pyridin-2-one;titanium?
3-hydroxy-1H-pyridin-2-one;titanium has a molecular weight of 158.97 g/mol, XLogP of 0.08, 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-2-one;titanium is sourced from PubChem (CID 87617255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).