2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine

C11H12ClN — CID 94035152

IUPAC2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine
SMILESClc1ccc([C@H]2C=CCCC2)cn1
InChIInChI=1S/C11H12ClN/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2/t9-/m0/s1
InChIKeyZBIYJWIDKQKOSW-VIFPVBQESA-N
MW193.68 g/mol
LogP3.56
Rot. Bonds1

About 2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine

2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine (PubChem CID 94035152) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine
PubChem CID94035152
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine
SMILESClc1ccc([C@H]2C=CCCC2)cn1
InChIInChI=1S/C11H12ClN/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2/t9-/m0/s1
InChIKeyZBIYJWIDKQKOSW-VIFPVBQESA-N
XLogP3.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine?
The IUPAC name of 2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine (CID 94035152) is 2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine.
What is the SMILES notation for 2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine?
The canonical SMILES for 2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine is Clc1ccc([C@H]2C=CCCC2)cn1.
What is the InChIKey of 2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine?
The InChIKey is ZBIYJWIDKQKOSW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12ClN/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2/t9-/m0/s1.
What are the key properties of 2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine?
2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine has a molecular weight of 193.68 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine is sourced from PubChem (CID 94035152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).