2-(furan-2-yl)-4-(3-hexylthiophen-2-yl)pyridine

C19H21NOS — CID 140687475

IUPAC2-(furan-2-yl)-4-(3-hexylthiophen-2-yl)pyridine
SMILESCCCCCCc1ccsc1-c1ccnc(-c2ccco2)c1
InChIInChI=1S/C19H21NOS/c1-2-3-4-5-7-15-10-13-22-19(15)16-9-11-20-17(14-16)18-8-6-12-21-18/h6,8-14H,2-5,7H2,1H3
InChIKeyCNLFCRSMHFVLKW-UHFFFAOYSA-N
MW311.45 g/mol
LogP6.19
Rot. Bonds7

About 2-(furan-2-yl)-4-(3-hexylthiophen-2-yl)pyridine

2-(furan-2-yl)-4-(3-hexylthiophen-2-yl)pyridine (PubChem CID 140687475) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-(3-hexylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-(furan-2-yl)-4-(3-hexylthiophen-2-yl)pyridine
PubChem CID140687475
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC Name2-(furan-2-yl)-4-(3-hexylthiophen-2-yl)pyridine
SMILESCCCCCCc1ccsc1-c1ccnc(-c2ccco2)c1
InChIInChI=1S/C19H21NOS/c1-2-3-4-5-7-15-10-13-22-19(15)16-9-11-20-17(14-16)18-8-6-12-21-18/h6,8-14H,2-5,7H2,1H3
InChIKeyCNLFCRSMHFVLKW-UHFFFAOYSA-N
XLogP6.19
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.45
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hexadecyl-2-phenylthiophene
CID 101022658
3-dodecyl-2-naphthalen-2-ylthiophene
CID 173129143
3-pentyl-2-(3-pentylthiophen-2-yl)thiophene
CID 86066815
3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene
CID 141412615
2-(4-bromophenyl)-3-hexylthiophene
CID 102310139
(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-iminobut-1-en-1-amine
CID 153435358
(3-hexylthiophen-2-yl)-trimethylsilane
CID 11447834
2,5-bis(3-hexylthiophen-2-yl)thiophene
CID 14916420
2-(3-hexylthiophen-2-yl)-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 71381559
3,4-dimethyl-2,5-bis(3-octylthiophen-2-yl)thiophene
CID 91212420
3-octyl-2,5-bis(3-octylthiophen-2-yl)thiophene
CID 101041638
5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran
CID 102128857

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-(3-hexylthiophen-2-yl)pyridine?
The IUPAC name of 2-(furan-2-yl)-4-(3-hexylthiophen-2-yl)pyridine (CID 140687475) is 2-(furan-2-yl)-4-(3-hexylthiophen-2-yl)pyridine.
What is the SMILES notation for 2-(furan-2-yl)-4-(3-hexylthiophen-2-yl)pyridine?
The canonical SMILES for 2-(furan-2-yl)-4-(3-hexylthiophen-2-yl)pyridine is CCCCCCc1ccsc1-c1ccnc(-c2ccco2)c1.
What is the InChIKey of 2-(furan-2-yl)-4-(3-hexylthiophen-2-yl)pyridine?
The InChIKey is CNLFCRSMHFVLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOS/c1-2-3-4-5-7-15-10-13-22-19(15)16-9-11-20-17(14-16)18-8-6-12-21-18/h6,8-14H,2-5,7H2,1H3.
What are the key properties of 2-(furan-2-yl)-4-(3-hexylthiophen-2-yl)pyridine?
2-(furan-2-yl)-4-(3-hexylthiophen-2-yl)pyridine has a molecular weight of 311.45 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-(3-hexylthiophen-2-yl)pyridine is sourced from PubChem (CID 140687475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).