1-(3,5-dichloro-2-pyridinyl)-3-methylidenepentan-1-ol

C11H13Cl2NO — CID 79780608

IUPAC1-(3,5-dichloro-2-pyridinyl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-3-7(2)4-10(15)11-9(13)5-8(12)6-14-11/h5-6,10,15H,2-4H2,1H3
InChIKeyKEDOKBZOVNGDQH-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.78
Rot. Bonds4

About 1-(3,5-dichloro-2-pyridinyl)-3-methylidenepentan-1-ol

1-(3,5-dichloro-2-pyridinyl)-3-methylidenepentan-1-ol (PubChem CID 79780608) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-3-methylidenepentan-1-ol.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-3-methylidenepentan-1-ol
PubChem CID79780608
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-3-7(2)4-10(15)11-9(13)5-8(12)6-14-11/h5-6,10,15H,2-4H2,1H3
InChIKeyKEDOKBZOVNGDQH-UHFFFAOYSA-N
XLogP3.78
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,5-dichloro-2-pyridinyl)-3-methylidenepentan-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-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817552
1-(2,5-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817515
1-(3,5-dichloro-2-pyridinyl)-2-methylpropan-1-ol
CID 79780293
2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 104800394
ethyl 4-(3,5-dichloro-2-pyridinyl)-3,4-dihydroxybutanoate
CID 171897131
2-cyclohexyl-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 79780362
1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol
CID 82920233
1-(3,5-dichloro-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine
CID 79780550
1-(3,5-dichloro-2-pyridinyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 79780044
1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol
CID 79781097
1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79780970
[1-(3,5-dichloro-2-pyridinyl)-2-ethylbutyl]hydrazine
CID 105248573

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-3-methylidenepentan-1-ol?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-3-methylidenepentan-1-ol (CID 79780608) is 1-(3,5-dichloro-2-pyridinyl)-3-methylidenepentan-1-ol.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-3-methylidenepentan-1-ol?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-3-methylidenepentan-1-ol is C=C(CC)CC(O)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-3-methylidenepentan-1-ol?
The InChIKey is KEDOKBZOVNGDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-3-7(2)4-10(15)11-9(13)5-8(12)6-14-11/h5-6,10,15H,2-4H2,1H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-3-methylidenepentan-1-ol?
1-(3,5-dichloro-2-pyridinyl)-3-methylidenepentan-1-ol has a molecular weight of 246.14 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-3-methylidenepentan-1-ol is sourced from PubChem (CID 79780608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).