6-(6-chloro-3-pyridinyl)cyclohex-2-en-1-ol

C11H12ClNO — CID 10910792

IUPAC6-(6-chloro-3-pyridinyl)cyclohex-2-en-1-ol
SMILESOC1C=CCCC1c1ccc(Cl)nc1
InChIInChI=1S/C11H12ClNO/c12-11-6-5-8(7-13-11)9-3-1-2-4-10(9)14/h2,4-7,9-10,14H,1,3H2
InChIKeyMXZAVNOFYQWQEB-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.53
Rot. Bonds1

About 6-(6-chloro-3-pyridinyl)cyclohex-2-en-1-ol

6-(6-chloro-3-pyridinyl)cyclohex-2-en-1-ol (PubChem CID 10910792) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 6-(6-chloro-3-pyridinyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name6-(6-chloro-3-pyridinyl)cyclohex-2-en-1-ol
PubChem CID10910792
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name6-(6-chloro-3-pyridinyl)cyclohex-2-en-1-ol
SMILESOC1C=CCCC1c1ccc(Cl)nc1
InChIInChI=1S/C11H12ClNO/c12-11-6-5-8(7-13-11)9-3-1-2-4-10(9)14/h2,4-7,9-10,14H,1,3H2
InChIKeyMXZAVNOFYQWQEB-UHFFFAOYSA-N
XLogP2.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Parinol
CID 28768
Alpha-(trichloromethyl)-4-pyridineethanol
CID 224859
3-Pyridineethanol
CID 80515
Phenyl(pyridin-3-yl)methanol
CID 234839
alpha-Phenyl-4-pyridinemethanol
CID 98305
(2-Chloropyridin-4-yl)methanol
CID 7062237
1-(2-Hydroxy-2-phenylethyl)pyridin-1-ium bromide
CID 13762804
(4-Methylphenyl)(4-pyridinyl)methanol
CID 3383504
(6-Chloropyridin-3-yl)methanol
CID 177161
(4-Chlorophenyl)(pyridin-2-yl)methanol
CID 97719
(2-Chloropyridin-3-yl)methanol
CID 2763647
Bis-(4-chloro-phenyl)-pyridin-4-yl-methanol
CID 7330473

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-3-pyridinyl)cyclohex-2-en-1-ol?
The IUPAC name of 6-(6-chloro-3-pyridinyl)cyclohex-2-en-1-ol (CID 10910792) is 6-(6-chloro-3-pyridinyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 6-(6-chloro-3-pyridinyl)cyclohex-2-en-1-ol?
The canonical SMILES for 6-(6-chloro-3-pyridinyl)cyclohex-2-en-1-ol is OC1C=CCCC1c1ccc(Cl)nc1.
What is the InChIKey of 6-(6-chloro-3-pyridinyl)cyclohex-2-en-1-ol?
The InChIKey is MXZAVNOFYQWQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-11-6-5-8(7-13-11)9-3-1-2-4-10(9)14/h2,4-7,9-10,14H,1,3H2.
What are the key properties of 6-(6-chloro-3-pyridinyl)cyclohex-2-en-1-ol?
6-(6-chloro-3-pyridinyl)cyclohex-2-en-1-ol has a molecular weight of 209.68 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-3-pyridinyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 10910792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).