2-(3-chloro-6-thiophen-2-ylhexan-2-yl)pyridine

C15H18ClNS — CID 66461611

IUPAC2-(3-chloro-6-thiophen-2-ylhexan-2-yl)pyridine
SMILESCC(c1ccccn1)C(Cl)CCCc1cccs1
InChIInChI=1S/C15H18ClNS/c1-12(15-9-2-3-10-17-15)14(16)8-4-6-13-7-5-11-18-13/h2-3,5,7,9-12,14H,4,6,8H2,1H3
InChIKeyNLUZVSPFWCKQGG-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.88
Rot. Bonds6

About 2-(3-chloro-6-thiophen-2-ylhexan-2-yl)pyridine

2-(3-chloro-6-thiophen-2-ylhexan-2-yl)pyridine (PubChem CID 66461611) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 2-(3-chloro-6-thiophen-2-ylhexan-2-yl)pyridine.

Molecular Properties

Compound Name2-(3-chloro-6-thiophen-2-ylhexan-2-yl)pyridine
PubChem CID66461611
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name2-(3-chloro-6-thiophen-2-ylhexan-2-yl)pyridine
SMILESCC(c1ccccn1)C(Cl)CCCc1cccs1
InChIInChI=1S/C15H18ClNS/c1-12(15-9-2-3-10-17-15)14(16)8-4-6-13-7-5-11-18-13/h2-3,5,7,9-12,14H,4,6,8H2,1H3
InChIKeyNLUZVSPFWCKQGG-UHFFFAOYSA-N
XLogP4.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-thiophen-2-ylhexan-2-yl)pyridine?
The IUPAC name of 2-(3-chloro-6-thiophen-2-ylhexan-2-yl)pyridine (CID 66461611) is 2-(3-chloro-6-thiophen-2-ylhexan-2-yl)pyridine.
What is the SMILES notation for 2-(3-chloro-6-thiophen-2-ylhexan-2-yl)pyridine?
The canonical SMILES for 2-(3-chloro-6-thiophen-2-ylhexan-2-yl)pyridine is CC(c1ccccn1)C(Cl)CCCc1cccs1.
What is the InChIKey of 2-(3-chloro-6-thiophen-2-ylhexan-2-yl)pyridine?
The InChIKey is NLUZVSPFWCKQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-12(15-9-2-3-10-17-15)14(16)8-4-6-13-7-5-11-18-13/h2-3,5,7,9-12,14H,4,6,8H2,1H3.
What are the key properties of 2-(3-chloro-6-thiophen-2-ylhexan-2-yl)pyridine?
2-(3-chloro-6-thiophen-2-ylhexan-2-yl)pyridine has a molecular weight of 279.84 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-thiophen-2-ylhexan-2-yl)pyridine is sourced from PubChem (CID 66461611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).