1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol

C9H10ClNO — CID 105110481

IUPAC1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1ccncc1Cl
InChIInChI=1S/C9H10ClNO/c1-6(2)9(12)7-3-4-11-5-8(7)10/h3-5,9,12H,1H2,2H3
InChIKeyLHQRFHDTIJAWTO-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.34
Rot. Bonds2

About 1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol

1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol (PubChem CID 105110481) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol
PubChem CID105110481
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1ccncc1Cl
InChIInChI=1S/C9H10ClNO/c1-6(2)9(12)7-3-4-11-5-8(7)10/h3-5,9,12H,1H2,2H3
InChIKeyLHQRFHDTIJAWTO-UHFFFAOYSA-N
XLogP2.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-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-(3-chloro-4-pyridinyl)-N,2-dimethylprop-2-en-1-amine
CID 105163768
1-(3-chloro-4-pyridinyl)ethanol
CID 67428643
(1S)-1-(3-chloro-4-pyridinyl)ethanol
CID 59186881
1-(3-chloro-4-pyridinyl)-3-methylbut-2-en-1-ol
CID 105110237
1-(3-chloro-4-pyridinyl)-3-methylbut-3-en-1-amine
CID 105163006
1-(3-chloro-4-pyridinyl)propan-1-ol
CID 105088541
3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol
CID 165445125
1-(3-chloro-4-pyridinyl)octan-1-ol
CID 105085038
1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol
CID 105089032
[1-(3-chloro-4-pyridinyl)-3-methylbut-2-enyl]hydrazine
CID 105319871
1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol
CID 114983838
1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 105088030

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol (CID 105110481) is 1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol is C=C(C)C(O)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol?
The InChIKey is LHQRFHDTIJAWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6(2)9(12)7-3-4-11-5-8(7)10/h3-5,9,12H,1H2,2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol?
1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol has a molecular weight of 183.64 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 105110481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).