3-(5-hexylthiophen-2-yl)pyridine

C15H19NS — CID 122397866

IUPAC3-(5-hexylthiophen-2-yl)pyridine
SMILESCCCCCCc1ccc(-c2cccnc2)s1
InChIInChI=1S/C15H19NS/c1-2-3-4-5-8-14-9-10-15(17-14)13-7-6-11-16-12-13/h6-7,9-12H,2-5,8H2,1H3
InChIKeyRBXQCBJXJYJXJB-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.93
Rot. Bonds6

About 3-(5-hexylthiophen-2-yl)pyridine

3-(5-hexylthiophen-2-yl)pyridine (PubChem CID 122397866) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 3-(5-hexylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name3-(5-hexylthiophen-2-yl)pyridine
PubChem CID122397866
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name3-(5-hexylthiophen-2-yl)pyridine
SMILESCCCCCCc1ccc(-c2cccnc2)s1
InChIInChI=1S/C15H19NS/c1-2-3-4-5-8-14-9-10-15(17-14)13-7-6-11-16-12-13/h6-7,9-12H,2-5,8H2,1H3
InChIKeyRBXQCBJXJYJXJB-UHFFFAOYSA-N
XLogP4.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-propylthiophen-2-yl)pyridine
CID 143245944
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
2-(5-tridecylthiophen-2-yl)pyridine
CID 24787944
5-butyl-2-pyridin-3-yl-1,3-thiazole
CID 67548098
2,5-diheptylthiophene
CID 607114
2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939
2-hexyl-5-[6-(5-hexylthiophen-2-yl)anthracen-2-yl]thiophene
CID 59695623
2-hexyl-5-(4-methoxyphenyl)thiophene
CID 70491963
3-[5-[5-[5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyridine
CID 102393188
3,4-bis(5-dodecylthiophen-2-yl)furan-2,5-dione
CID 122398344
[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
CID 24744286
2-hexyl-5-[5-[5-[4-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 59288478

Frequently Asked Questions

What is the IUPAC name of 3-(5-hexylthiophen-2-yl)pyridine?
The IUPAC name of 3-(5-hexylthiophen-2-yl)pyridine (CID 122397866) is 3-(5-hexylthiophen-2-yl)pyridine.
What is the SMILES notation for 3-(5-hexylthiophen-2-yl)pyridine?
The canonical SMILES for 3-(5-hexylthiophen-2-yl)pyridine is CCCCCCc1ccc(-c2cccnc2)s1.
What is the InChIKey of 3-(5-hexylthiophen-2-yl)pyridine?
The InChIKey is RBXQCBJXJYJXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-2-3-4-5-8-14-9-10-15(17-14)13-7-6-11-16-12-13/h6-7,9-12H,2-5,8H2,1H3.
What are the key properties of 3-(5-hexylthiophen-2-yl)pyridine?
3-(5-hexylthiophen-2-yl)pyridine has a molecular weight of 245.39 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hexylthiophen-2-yl)pyridine is sourced from PubChem (CID 122397866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).