2-chloro-6-(3-methylbut-2-en-2-yl)pyridine

C10H12ClN — CID 59497733

IUPAC2-chloro-6-(3-methylbut-2-en-2-yl)pyridine
SMILESCC(C)=C(C)c1cccc(Cl)n1
InChIInChI=1S/C10H12ClN/c1-7(2)8(3)9-5-4-6-10(11)12-9/h4-6H,1-3H3
InChIKeyIKEBIRSBCMHMFO-UHFFFAOYSA-N
MW181.67 g/mol
LogP3.55
Rot. Bonds1

About 2-chloro-6-(3-methylbut-2-en-2-yl)pyridine

2-chloro-6-(3-methylbut-2-en-2-yl)pyridine (PubChem CID 59497733) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 2-chloro-6-(3-methylbut-2-en-2-yl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(3-methylbut-2-en-2-yl)pyridine
PubChem CID59497733
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name2-chloro-6-(3-methylbut-2-en-2-yl)pyridine
SMILESCC(C)=C(C)c1cccc(Cl)n1
InChIInChI=1S/C10H12ClN/c1-7(2)8(3)9-5-4-6-10(11)12-9/h4-6H,1-3H3
InChIKeyIKEBIRSBCMHMFO-UHFFFAOYSA-N
XLogP3.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-chloro-6-(3-methylbut-2-en-2-yl)pyridine?
The IUPAC name of 2-chloro-6-(3-methylbut-2-en-2-yl)pyridine (CID 59497733) is 2-chloro-6-(3-methylbut-2-en-2-yl)pyridine.
What is the SMILES notation for 2-chloro-6-(3-methylbut-2-en-2-yl)pyridine?
The canonical SMILES for 2-chloro-6-(3-methylbut-2-en-2-yl)pyridine is CC(C)=C(C)c1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-(3-methylbut-2-en-2-yl)pyridine?
The InChIKey is IKEBIRSBCMHMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-7(2)8(3)9-5-4-6-10(11)12-9/h4-6H,1-3H3.
What are the key properties of 2-chloro-6-(3-methylbut-2-en-2-yl)pyridine?
2-chloro-6-(3-methylbut-2-en-2-yl)pyridine has a molecular weight of 181.67 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-methylbut-2-en-2-yl)pyridine is sourced from PubChem (CID 59497733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).