1-ethyl-1-methyl-2H-pyridin-1-ium-3-ol

C8H14NO+ — CID 123439337

IUPAC1-ethyl-1-methyl-2H-pyridin-1-ium-3-ol
SMILESCC[N+]1(C)C=CC=C(O)C1
InChIInChI=1S/C8H13NO/c1-3-9(2)6-4-5-8(10)7-9/h4-6H,3,7H2,1-2H3/p+1
InChIKeyKTTSYXFJTVWAEN-UHFFFAOYSA-O
MW140.21 g/mol
LogP1.42
Rot. Bonds1

About 1-ethyl-1-methyl-2H-pyridin-1-ium-3-ol

1-ethyl-1-methyl-2H-pyridin-1-ium-3-ol (PubChem CID 123439337) has the molecular formula C8H14NO+ and a molecular weight of 140.21 g/mol. Its IUPAC name is 1-ethyl-1-methyl-2H-pyridin-1-ium-3-ol.

Molecular Properties

Compound Name1-ethyl-1-methyl-2H-pyridin-1-ium-3-ol
PubChem CID123439337
Molecular FormulaC8H14NO+
Molecular Weight140.21 g/mol
Exact Mass140.11
IUPAC Name1-ethyl-1-methyl-2H-pyridin-1-ium-3-ol
SMILESCC[N+]1(C)C=CC=C(O)C1
InChIInChI=1S/C8H13NO/c1-3-9(2)6-4-5-8(10)7-9/h4-6H,3,7H2,1-2H3/p+1
InChIKeyKTTSYXFJTVWAEN-UHFFFAOYSA-O
XLogP1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-2H-pyridin-1-ium-3-ol?
The IUPAC name of 1-ethyl-1-methyl-2H-pyridin-1-ium-3-ol (CID 123439337) is 1-ethyl-1-methyl-2H-pyridin-1-ium-3-ol.
What is the SMILES notation for 1-ethyl-1-methyl-2H-pyridin-1-ium-3-ol?
The canonical SMILES for 1-ethyl-1-methyl-2H-pyridin-1-ium-3-ol is CC[N+]1(C)C=CC=C(O)C1.
What is the InChIKey of 1-ethyl-1-methyl-2H-pyridin-1-ium-3-ol?
The InChIKey is KTTSYXFJTVWAEN-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13NO/c1-3-9(2)6-4-5-8(10)7-9/h4-6H,3,7H2,1-2H3/p+1.
What are the key properties of 1-ethyl-1-methyl-2H-pyridin-1-ium-3-ol?
1-ethyl-1-methyl-2H-pyridin-1-ium-3-ol has a molecular weight of 140.21 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-2H-pyridin-1-ium-3-ol is sourced from PubChem (CID 123439337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).