2-(5-tridecylthiophen-2-yl)pyridine

C22H33NS — CID 24787944

IUPAC2-(5-tridecylthiophen-2-yl)pyridine
SMILESCCCCCCCCCCCCCc1ccc(-c2ccccn2)s1
InChIInChI=1S/C22H33NS/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-17-18-22(24-20)21-16-13-14-19-23-21/h13-14,16-19H,2-12,15H2,1H3
InChIKeyRRYQGIFOCNOWKC-UHFFFAOYSA-N
MW343.58 g/mol
LogP7.66
Rot. Bonds13

About 2-(5-tridecylthiophen-2-yl)pyridine

2-(5-tridecylthiophen-2-yl)pyridine (PubChem CID 24787944) has the molecular formula C22H33NS and a molecular weight of 343.58 g/mol. Its IUPAC name is 2-(5-tridecylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-(5-tridecylthiophen-2-yl)pyridine
PubChem CID24787944
Molecular FormulaC22H33NS
Molecular Weight343.58 g/mol
Exact Mass343.23
IUPAC Name2-(5-tridecylthiophen-2-yl)pyridine
SMILESCCCCCCCCCCCCCc1ccc(-c2ccccn2)s1
InChIInChI=1S/C22H33NS/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-17-18-22(24-20)21-16-13-14-19-23-21/h13-14,16-19H,2-12,15H2,1H3
InChIKeyRRYQGIFOCNOWKC-UHFFFAOYSA-N
XLogP7.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.58
LogP ≤ 57.66
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

N-[(5-pyridin-2-ylthiophen-2-yl)methyl]decan-1-amine
CID 161260709
ethane;2-(5-ethylthiophen-2-yl)pyridine
CID 142831461
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
4-(5-hexylthiophen-2-yl)-2-methylpyrimidine
CID 118281567
3-(5-hexylthiophen-2-yl)pyridine
CID 122397866
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
3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid
CID 22326481
2-(2-octylphenyl)pyridine
CID 15643012
3,4-bis(5-dodecylthiophen-2-yl)furan-2,5-dione
CID 122398344
[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
CID 24744286
4,9-bis(5-dodecylthiophen-2-yl)-3,10-dithia-13,20-diazapentacyclo[10.8.0.02,6.07,11.014,19]icosa-1(20),2(6),4,7(11),8,12,14,16,18-nonaene
CID 102291101

Frequently Asked Questions

What is the IUPAC name of 2-(5-tridecylthiophen-2-yl)pyridine?
The IUPAC name of 2-(5-tridecylthiophen-2-yl)pyridine (CID 24787944) is 2-(5-tridecylthiophen-2-yl)pyridine.
What is the SMILES notation for 2-(5-tridecylthiophen-2-yl)pyridine?
The canonical SMILES for 2-(5-tridecylthiophen-2-yl)pyridine is CCCCCCCCCCCCCc1ccc(-c2ccccn2)s1.
What is the InChIKey of 2-(5-tridecylthiophen-2-yl)pyridine?
The InChIKey is RRYQGIFOCNOWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NS/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-17-18-22(24-20)21-16-13-14-19-23-21/h13-14,16-19H,2-12,15H2,1H3.
What are the key properties of 2-(5-tridecylthiophen-2-yl)pyridine?
2-(5-tridecylthiophen-2-yl)pyridine has a molecular weight of 343.58 g/mol, XLogP of 7.66, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tridecylthiophen-2-yl)pyridine is sourced from PubChem (CID 24787944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).