(1-methylpyridin-1-ium-4-yl)methanol

C7H10NO+ — CID 5153060

IUPAC(1-methylpyridin-1-ium-4-yl)methanol
SMILESC[n+]1ccc(CO)cc1
InChIInChI=1S/C7H10NO/c1-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3/q+1
InChIKeyBYWOUJPJTMCHNZ-UHFFFAOYSA-N
MW124.16 g/mol
LogP0.00
Rot. Bonds1

About (1-methylpyridin-1-ium-4-yl)methanol

(1-methylpyridin-1-ium-4-yl)methanol (PubChem CID 5153060) has the molecular formula C7H10NO+ and a molecular weight of 124.16 g/mol. Its IUPAC name is (1-methylpyridin-1-ium-4-yl)methanol.

Molecular Properties

Compound Name(1-methylpyridin-1-ium-4-yl)methanol
PubChem CID5153060
Molecular FormulaC7H10NO+
Molecular Weight124.16 g/mol
Exact Mass124.08
IUPAC Name(1-methylpyridin-1-ium-4-yl)methanol
SMILESC[n+]1ccc(CO)cc1
InChIInChI=1S/C7H10NO/c1-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3/q+1
InChIKeyBYWOUJPJTMCHNZ-UHFFFAOYSA-N
XLogP0.00
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyridin-1-ium-4-yl)methanol?
The IUPAC name of (1-methylpyridin-1-ium-4-yl)methanol (CID 5153060) is (1-methylpyridin-1-ium-4-yl)methanol.
What is the SMILES notation for (1-methylpyridin-1-ium-4-yl)methanol?
The canonical SMILES for (1-methylpyridin-1-ium-4-yl)methanol is C[n+]1ccc(CO)cc1.
What is the InChIKey of (1-methylpyridin-1-ium-4-yl)methanol?
The InChIKey is BYWOUJPJTMCHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NO/c1-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3/q+1.
What are the key properties of (1-methylpyridin-1-ium-4-yl)methanol?
(1-methylpyridin-1-ium-4-yl)methanol has a molecular weight of 124.16 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyridin-1-ium-4-yl)methanol is sourced from PubChem (CID 5153060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).