2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine

C24H16FNS — CID 166575809

IUPAC2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine
SMILESCc1ccnc(-c2ccc3sc4cc(-c5ccccc5F)ccc4c3c2)c1
InChIInChI=1S/C24H16FNS/c1-15-10-11-26-22(12-15)17-7-9-23-20(13-17)19-8-6-16(14-24(19)27-23)18-4-2-3-5-21(18)25/h2-14H,1H3
InChIKeyXWXXKZZQPYNIRY-UHFFFAOYSA-N
MW369.46 g/mol
LogP7.23
Rot. Bonds2

About 2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine

2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine (PubChem CID 166575809) has the molecular formula C24H16FNS and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine.

Molecular Properties

Compound Name2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine
PubChem CID166575809
Molecular FormulaC24H16FNS
Molecular Weight369.46 g/mol
Exact Mass369.10
IUPAC Name2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine
SMILESCc1ccnc(-c2ccc3sc4cc(-c5ccccc5F)ccc4c3c2)c1
InChIInChI=1S/C24H16FNS/c1-15-10-11-26-22(12-15)17-7-9-23-20(13-17)19-8-6-16(14-24(19)27-23)18-4-2-3-5-21(18)25/h2-14H,1H3
InChIKeyXWXXKZZQPYNIRY-UHFFFAOYSA-N
XLogP7.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine
CID 166575205
4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine
CID 166574154
2-(2-fluoro-4-methylphenyl)dibenzothiophene
CID 126592460
2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]pyridine
CID 166576691
4-(2,2-dimethylpropyl)-2-[7-(4-methylphenyl)dibenzothiophen-2-yl]pyridine
CID 169038578
(2-dibenzothiophen-2-yl-4-pyridinyl)-trimethylsilane
CID 140719910
19-(4-methyl-2-pyridinyl)-10-thia-15-azaheptacyclo[13.10.1.02,14.03,11.04,9.016,21.022,26]hexacosa-1(25),2(14),3(11),4,6,8,12,16(21),17,19,22(26),23-dodecaene
CID 164803136
3-(7-pyridin-2-yldibenzothiophen-2-yl)-5-[2-(3-pyridin-2-ylphenyl)phenyl]pyridine
CID 140814604
2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine
CID 166577015
4-[dideuterio(phenyl)methyl]-2-(7-fluorodibenzothiophen-2-yl)pyridine
CID 162709786
4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166573593
2-[4-[2-[3,5-bis(2-phenylphenyl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-ylpyridine
CID 167362982

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine?
The IUPAC name of 2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine (CID 166575809) is 2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine.
What is the SMILES notation for 2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine?
The canonical SMILES for 2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine is Cc1ccnc(-c2ccc3sc4cc(-c5ccccc5F)ccc4c3c2)c1.
What is the InChIKey of 2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine?
The InChIKey is XWXXKZZQPYNIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNS/c1-15-10-11-26-22(12-15)17-7-9-23-20(13-17)19-8-6-16(14-24(19)27-23)18-4-2-3-5-21(18)25/h2-14H,1H3.
What are the key properties of 2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine?
2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine has a molecular weight of 369.46 g/mol, XLogP of 7.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-fluorophenyl)dibenzothiophen-2-yl]-4-methylpyridine is sourced from PubChem (CID 166575809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).