(1-methylpyridin-1-ium-3-yl)methanediol

C7H10NO2+ — CID 14065284

IUPAC(1-methylpyridin-1-ium-3-yl)methanediol
SMILESC[n+]1cccc(C(O)O)c1
InChIInChI=1S/C7H10NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5,7,9-10H,1H3/q+1
InChIKeyKOZFCBNVXXXISD-UHFFFAOYSA-N
MW140.16 g/mol
LogP-0.51
Rot. Bonds1

About (1-methylpyridin-1-ium-3-yl)methanediol

(1-methylpyridin-1-ium-3-yl)methanediol (PubChem CID 14065284) has the molecular formula C7H10NO2+ and a molecular weight of 140.16 g/mol. Its IUPAC name is (1-methylpyridin-1-ium-3-yl)methanediol.

Molecular Properties

Compound Name(1-methylpyridin-1-ium-3-yl)methanediol
PubChem CID14065284
Molecular FormulaC7H10NO2+
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name(1-methylpyridin-1-ium-3-yl)methanediol
SMILESC[n+]1cccc(C(O)O)c1
InChIInChI=1S/C7H10NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5,7,9-10H,1H3/q+1
InChIKeyKOZFCBNVXXXISD-UHFFFAOYSA-N
XLogP-0.51
TPSA44.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-methylpyridin-1-ium-3-yl)methanediol?
The IUPAC name of (1-methylpyridin-1-ium-3-yl)methanediol (CID 14065284) is (1-methylpyridin-1-ium-3-yl)methanediol.
What is the SMILES notation for (1-methylpyridin-1-ium-3-yl)methanediol?
The canonical SMILES for (1-methylpyridin-1-ium-3-yl)methanediol is C[n+]1cccc(C(O)O)c1.
What is the InChIKey of (1-methylpyridin-1-ium-3-yl)methanediol?
The InChIKey is KOZFCBNVXXXISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5,7,9-10H,1H3/q+1.
What are the key properties of (1-methylpyridin-1-ium-3-yl)methanediol?
(1-methylpyridin-1-ium-3-yl)methanediol has a molecular weight of 140.16 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyridin-1-ium-3-yl)methanediol is sourced from PubChem (CID 14065284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).