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'}

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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).