6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol

C11H16ClNO2 — CID 103867951

IUPAC6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol
SMILESOCCCCCCOc1ccc(Cl)nc1
InChIInChI=1S/C11H16ClNO2/c12-11-6-5-10(9-13-11)15-8-4-2-1-3-7-14/h5-6,9,14H,1-4,7-8H2
InChIKeyCUCAANVRMQJDKS-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.67
Rot. Bonds7

About 6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol

6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol (PubChem CID 103867951) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol.

Molecular Properties

Compound Name6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol
PubChem CID103867951
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol
SMILESOCCCCCCOc1ccc(Cl)nc1
InChIInChI=1S/C11H16ClNO2/c12-11-6-5-10(9-13-11)15-8-4-2-1-3-7-14/h5-6,9,14H,1-4,7-8H2
InChIKeyCUCAANVRMQJDKS-UHFFFAOYSA-N
XLogP2.67
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol?
The IUPAC name of 6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol (CID 103867951) is 6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol.
What is the SMILES notation for 6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol?
The canonical SMILES for 6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol is OCCCCCCOc1ccc(Cl)nc1.
What is the InChIKey of 6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol?
The InChIKey is CUCAANVRMQJDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c12-11-6-5-10(9-13-11)15-8-4-2-1-3-7-14/h5-6,9,14H,1-4,7-8H2.
What are the key properties of 6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol?
6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol has a molecular weight of 229.71 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol is sourced from PubChem (CID 103867951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).