1,2-dimethylpyridin-1-ium-3-ol

C7H10NO+ — CID 4271972

IUPAC1,2-dimethylpyridin-1-ium-3-ol
SMILESCc1c(O)ccc[n+]1C
InChIInChI=1S/C7H9NO/c1-6-7(9)4-3-5-8(6)2/h3-5H,1-2H3/p+1
InChIKeyNHMNCXOWPXIMRV-UHFFFAOYSA-O
MW124.16 g/mol
LogP0.53
Rot. Bonds

About 1,2-dimethylpyridin-1-ium-3-ol

1,2-dimethylpyridin-1-ium-3-ol (PubChem CID 4271972) has the molecular formula C7H10NO+ and a molecular weight of 124.16 g/mol. Its IUPAC name is 1,2-dimethylpyridin-1-ium-3-ol.

Molecular Properties

Compound Name1,2-dimethylpyridin-1-ium-3-ol
PubChem CID4271972
Molecular FormulaC7H10NO+
Molecular Weight124.16 g/mol
Exact Mass124.08
IUPAC Name1,2-dimethylpyridin-1-ium-3-ol
SMILESCc1c(O)ccc[n+]1C
InChIInChI=1S/C7H9NO/c1-6-7(9)4-3-5-8(6)2/h3-5H,1-2H3/p+1
InChIKeyNHMNCXOWPXIMRV-UHFFFAOYSA-O
XLogP0.53
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 50.53
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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Related Compounds

1,2,3-trimethylpyridin-1-ium;hydrobromide
CID 18985420
2-amino-1-methylpyridin-1-ium-3-ol iodide
CID 174810358
1-methylquinolin-1-ium-8-ol;chloride;hydrate
CID 71430086
11-(1,2-dimethylpyridin-1-ium-3-yl)undecanoic acid
CID 69477351
2-benzylsulfanyl-1-methylpyridin-1-ium-3-ol bromide
CID 24892264
1,2-dimethylpyridin-1-ium;methane
CID 162122842
2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium
CID 123291859
(NE)-N-[(1,3-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine
CID 162648523
tetrakis(1-methylpyridin-1-ium-2-yl)boranuide
CID 123631550
1,2-dimethylpyridin-1-ium;ethane;methane
CID 161162083
1,12-dimethylbenzo[f][1,10]phenanthroline-1,12-diium
CID 123562585
1-ethyl-2-methylpyridin-1-ium-3,4-diol
CID 90127578

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyridin-1-ium-3-ol?
The IUPAC name of 1,2-dimethylpyridin-1-ium-3-ol (CID 4271972) is 1,2-dimethylpyridin-1-ium-3-ol.
What is the SMILES notation for 1,2-dimethylpyridin-1-ium-3-ol?
The canonical SMILES for 1,2-dimethylpyridin-1-ium-3-ol is Cc1c(O)ccc[n+]1C.
What is the InChIKey of 1,2-dimethylpyridin-1-ium-3-ol?
The InChIKey is NHMNCXOWPXIMRV-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9NO/c1-6-7(9)4-3-5-8(6)2/h3-5H,1-2H3/p+1.
What are the key properties of 1,2-dimethylpyridin-1-ium-3-ol?
1,2-dimethylpyridin-1-ium-3-ol has a molecular weight of 124.16 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyridin-1-ium-3-ol is sourced from PubChem (CID 4271972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).