2-(6-chloro-2-pyridinyl)cyclohexan-1-one

C11H12ClNO — CID 10943734

IUPAC2-(6-chloro-2-pyridinyl)cyclohexan-1-one
SMILESO=C1CCCCC1c1cccc(Cl)n1
InChIInChI=1S/C11H12ClNO/c12-11-7-3-5-9(13-11)8-4-1-2-6-10(8)14/h3,5,7-8H,1-2,4,6H2
InChIKeyGDNHNXHBWUEHFQ-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.96
Rot. Bonds1

About 2-(6-chloro-2-pyridinyl)cyclohexan-1-one

2-(6-chloro-2-pyridinyl)cyclohexan-1-one (PubChem CID 10943734) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-(6-chloro-2-pyridinyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(6-chloro-2-pyridinyl)cyclohexan-1-one
PubChem CID10943734
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name2-(6-chloro-2-pyridinyl)cyclohexan-1-one
SMILESO=C1CCCCC1c1cccc(Cl)n1
InChIInChI=1S/C11H12ClNO/c12-11-7-3-5-9(13-11)8-4-1-2-6-10(8)14/h3,5,7-8H,1-2,4,6H2
InChIKeyGDNHNXHBWUEHFQ-UHFFFAOYSA-N
XLogP2.96
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.96
H-Bond Donors ≤ 50
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-(6-chloro-2-pyridinyl)cyclohexan-1-one?
The IUPAC name of 2-(6-chloro-2-pyridinyl)cyclohexan-1-one (CID 10943734) is 2-(6-chloro-2-pyridinyl)cyclohexan-1-one.
What is the SMILES notation for 2-(6-chloro-2-pyridinyl)cyclohexan-1-one?
The canonical SMILES for 2-(6-chloro-2-pyridinyl)cyclohexan-1-one is O=C1CCCCC1c1cccc(Cl)n1.
What is the InChIKey of 2-(6-chloro-2-pyridinyl)cyclohexan-1-one?
The InChIKey is GDNHNXHBWUEHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-11-7-3-5-9(13-11)8-4-1-2-6-10(8)14/h3,5,7-8H,1-2,4,6H2.
What are the key properties of 2-(6-chloro-2-pyridinyl)cyclohexan-1-one?
2-(6-chloro-2-pyridinyl)cyclohexan-1-one has a molecular weight of 209.68 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-pyridinyl)cyclohexan-1-one is sourced from PubChem (CID 10943734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).