2-(2,6-dichloro-3-pyridinyl)ethanol

C7H7Cl2NO — CID 18427429

IUPAC2-(2,6-dichloro-3-pyridinyl)ethanol
SMILESOCCc1ccc(Cl)nc1Cl
InChIInChI=1S/C7H7Cl2NO/c8-6-2-1-5(3-4-11)7(9)10-6/h1-2,11H,3-4H2
InChIKeyXVJCDDDOFJAABV-UHFFFAOYSA-N
MW192.04 g/mol
LogP1.92
Rot. Bonds2

About 2-(2,6-dichloro-3-pyridinyl)ethanol

2-(2,6-dichloro-3-pyridinyl)ethanol (PubChem CID 18427429) has the molecular formula C7H7Cl2NO and a molecular weight of 192.04 g/mol. Its IUPAC name is 2-(2,6-dichloro-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(2,6-dichloro-3-pyridinyl)ethanol
PubChem CID18427429
Molecular FormulaC7H7Cl2NO
Molecular Weight192.04 g/mol
Exact Mass190.99
IUPAC Name2-(2,6-dichloro-3-pyridinyl)ethanol
SMILESOCCc1ccc(Cl)nc1Cl
InChIInChI=1S/C7H7Cl2NO/c8-6-2-1-5(3-4-11)7(9)10-6/h1-2,11H,3-4H2
InChIKeyXVJCDDDOFJAABV-UHFFFAOYSA-N
XLogP1.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.04
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-3-pyridinyl)ethanol?
The IUPAC name of 2-(2,6-dichloro-3-pyridinyl)ethanol (CID 18427429) is 2-(2,6-dichloro-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(2,6-dichloro-3-pyridinyl)ethanol?
The canonical SMILES for 2-(2,6-dichloro-3-pyridinyl)ethanol is OCCc1ccc(Cl)nc1Cl.
What is the InChIKey of 2-(2,6-dichloro-3-pyridinyl)ethanol?
The InChIKey is XVJCDDDOFJAABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO/c8-6-2-1-5(3-4-11)7(9)10-6/h1-2,11H,3-4H2.
What are the key properties of 2-(2,6-dichloro-3-pyridinyl)ethanol?
2-(2,6-dichloro-3-pyridinyl)ethanol has a molecular weight of 192.04 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-3-pyridinyl)ethanol is sourced from PubChem (CID 18427429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).