2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine

C21H21F2NS — CID 66714075

IUPAC2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine
SMILESCCCCCCc1ccc(-c2ccnc(-c3ccc(F)cc3F)c2)s1
InChIInChI=1S/C21H21F2NS/c1-2-3-4-5-6-17-8-10-21(25-17)15-11-12-24-20(13-15)18-9-7-16(22)14-19(18)23/h7-14H,2-6H2,1H3
InChIKeyYQKLGWGZQGRKFZ-UHFFFAOYSA-N
MW357.47 g/mol
LogP6.88
Rot. Bonds7

About 2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine

2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine (PubChem CID 66714075) has the molecular formula C21H21F2NS and a molecular weight of 357.47 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine
PubChem CID66714075
Molecular FormulaC21H21F2NS
Molecular Weight357.47 g/mol
Exact Mass357.14
IUPAC Name2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine
SMILESCCCCCCc1ccc(-c2ccnc(-c3ccc(F)cc3F)c2)s1
InChIInChI=1S/C21H21F2NS/c1-2-3-4-5-6-17-8-10-21(25-17)15-11-12-24-20(13-15)18-9-7-16(22)14-19(18)23/h7-14H,2-6H2,1H3
InChIKeyYQKLGWGZQGRKFZ-UHFFFAOYSA-N
XLogP6.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.47
LogP ≤ 56.88
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

4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine
CID 58321391
2-(5-tridecylthiophen-2-yl)pyridine
CID 24787944
2-[2-fluoro-4-(4-pentylphenyl)phenyl]-5-pentylthiophene
CID 170655021
4-(5-hexylthiophen-2-yl)-2-methylpyrimidine
CID 118281567
2-hexyl-5-[6-(5-hexylthiophen-2-yl)anthracen-2-yl]thiophene
CID 59695623
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
3-(5-hexylthiophen-2-yl)pyridine
CID 122397866
2-hexyl-5-[2,3,5,6-tetrafluoro-4-(5-hexylthiophen-2-yl)phenyl]thiophene
CID 102511967
2-[4-formyloxy-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 140822285
2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 159312204
2,4-difluoro-1-(4-octylphenyl)benzene
CID 56633566
2-bromo-5-(5-hexylthiophen-2-yl)thiophene;4-methyl-2-(3-methylphenyl)-6-(4-methyl-2-pyridinyl)pyridine;4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine
CID 161021702

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine?
The IUPAC name of 2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine (CID 66714075) is 2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine is CCCCCCc1ccc(-c2ccnc(-c3ccc(F)cc3F)c2)s1.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine?
The InChIKey is YQKLGWGZQGRKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NS/c1-2-3-4-5-6-17-8-10-21(25-17)15-11-12-24-20(13-15)18-9-7-16(22)14-19(18)23/h7-14H,2-6H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine?
2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine has a molecular weight of 357.47 g/mol, XLogP of 6.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine is sourced from PubChem (CID 66714075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).