1-(2-chloroprop-2-enyl)pyridin-1-ium-3-ol

C8H9ClNO+ — CID 24844638

IUPAC1-(2-chloroprop-2-enyl)pyridin-1-ium-3-ol
SMILESC=C(Cl)C[n+]1cccc(O)c1
InChIInChI=1S/C8H8ClNO/c1-7(9)5-10-4-2-3-8(11)6-10/h2-4,6H,1,5H2/p+1
InChIKeyRLWOJRSBCYNGAI-UHFFFAOYSA-O
MW170.62 g/mol
LogP1.43
Rot. Bonds2

About 1-(2-chloroprop-2-enyl)pyridin-1-ium-3-ol

1-(2-chloroprop-2-enyl)pyridin-1-ium-3-ol (PubChem CID 24844638) has the molecular formula C8H9ClNO+ and a molecular weight of 170.62 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)pyridin-1-ium-3-ol.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)pyridin-1-ium-3-ol
PubChem CID24844638
Molecular FormulaC8H9ClNO+
Molecular Weight170.62 g/mol
Exact Mass170.04
IUPAC Name1-(2-chloroprop-2-enyl)pyridin-1-ium-3-ol
SMILESC=C(Cl)C[n+]1cccc(O)c1
InChIInChI=1S/C8H8ClNO/c1-7(9)5-10-4-2-3-8(11)6-10/h2-4,6H,1,5H2/p+1
InChIKeyRLWOJRSBCYNGAI-UHFFFAOYSA-O
XLogP1.43
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.62
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-chloroprop-2-enyl)pyridin-1-ium-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[9-(3-hydroxypyridin-1-ium-1-yl)nonyl]pyridin-1-ium-3-ol
CID 24844723
(E)-1-(3-hydroxypyridin-1-ium-1-yl)-4-phenylbut-3-en-2-one
CID 6065152
N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 2329822
1-(3,4-difluorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone
CID 8773426
N-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8773444
2-(3-hydroxypyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8751323
2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide
CID 8751051
1-(4-cyclohexylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone
CID 8773659
2-(3-hydroxypyridin-1-ium-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 8773586
N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8751353
2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 8751313
1-[2-(3,5-dimethylphenoxy)ethyl]pyridin-1-ium-3-ol
CID 36762206

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)pyridin-1-ium-3-ol?
The IUPAC name of 1-(2-chloroprop-2-enyl)pyridin-1-ium-3-ol (CID 24844638) is 1-(2-chloroprop-2-enyl)pyridin-1-ium-3-ol.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)pyridin-1-ium-3-ol?
The canonical SMILES for 1-(2-chloroprop-2-enyl)pyridin-1-ium-3-ol is C=C(Cl)C[n+]1cccc(O)c1.
What is the InChIKey of 1-(2-chloroprop-2-enyl)pyridin-1-ium-3-ol?
The InChIKey is RLWOJRSBCYNGAI-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8ClNO/c1-7(9)5-10-4-2-3-8(11)6-10/h2-4,6H,1,5H2/p+1.
What are the key properties of 1-(2-chloroprop-2-enyl)pyridin-1-ium-3-ol?
1-(2-chloroprop-2-enyl)pyridin-1-ium-3-ol has a molecular weight of 170.62 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)pyridin-1-ium-3-ol is sourced from PubChem (CID 24844638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).