(1-oxidopyridin-1-ium-4-yl)-phenylmethanol

C12H11NO2 — CID 11841629

IUPAC(1-oxidopyridin-1-ium-4-yl)-phenylmethanol
SMILES[O-][n+]1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C12H11NO2/c14-12(10-4-2-1-3-5-10)11-6-8-13(15)9-7-11/h1-9,12,14H
InChIKeyCVZKUOJQOVCTKE-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.40
Rot. Bonds2

About (1-oxidopyridin-1-ium-4-yl)-phenylmethanol

(1-oxidopyridin-1-ium-4-yl)-phenylmethanol (PubChem CID 11841629) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is (1-oxidopyridin-1-ium-4-yl)-phenylmethanol.

Molecular Properties

Compound Name(1-oxidopyridin-1-ium-4-yl)-phenylmethanol
PubChem CID11841629
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name(1-oxidopyridin-1-ium-4-yl)-phenylmethanol
SMILES[O-][n+]1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C12H11NO2/c14-12(10-4-2-1-3-5-10)11-6-8-13(15)9-7-11/h1-9,12,14H
InChIKeyCVZKUOJQOVCTKE-UHFFFAOYSA-N
XLogP1.40
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-oxidopyridin-1-ium-4-yl)-phenylmethanol?
The IUPAC name of (1-oxidopyridin-1-ium-4-yl)-phenylmethanol (CID 11841629) is (1-oxidopyridin-1-ium-4-yl)-phenylmethanol.
What is the SMILES notation for (1-oxidopyridin-1-ium-4-yl)-phenylmethanol?
The canonical SMILES for (1-oxidopyridin-1-ium-4-yl)-phenylmethanol is [O-][n+]1ccc(C(O)c2ccccc2)cc1.
What is the InChIKey of (1-oxidopyridin-1-ium-4-yl)-phenylmethanol?
The InChIKey is CVZKUOJQOVCTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-12(10-4-2-1-3-5-10)11-6-8-13(15)9-7-11/h1-9,12,14H.
What are the key properties of (1-oxidopyridin-1-ium-4-yl)-phenylmethanol?
(1-oxidopyridin-1-ium-4-yl)-phenylmethanol has a molecular weight of 201.23 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxidopyridin-1-ium-4-yl)-phenylmethanol is sourced from PubChem (CID 11841629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).