10-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]phenothiazine

C24H16F2N2S — CID 118920503

IUPAC10-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]phenothiazine
SMILESCc1cccc(-c2c(F)cncc2F)c1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H16F2N2S/c1-15-7-6-8-16(23-17(25)13-27-14-18(23)26)24(15)28-19-9-2-4-11-21(19)29-22-12-5-3-10-20(22)28/h2-14H,1H3
InChIKeyWJCAERUFQBIPMS-UHFFFAOYSA-N
MW402.47 g/mol
LogP7.27
Rot. Bonds2

About 10-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]phenothiazine

10-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]phenothiazine (PubChem CID 118920503) has the molecular formula C24H16F2N2S and a molecular weight of 402.47 g/mol. Its IUPAC name is 10-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]phenothiazine.

Molecular Properties

Compound Name10-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]phenothiazine
PubChem CID118920503
Molecular FormulaC24H16F2N2S
Molecular Weight402.47 g/mol
Exact Mass402.10
IUPAC Name10-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]phenothiazine
SMILESCc1cccc(-c2c(F)cncc2F)c1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H16F2N2S/c1-15-7-6-8-16(23-17(25)13-27-14-18(23)26)24(15)28-19-9-2-4-11-21(19)29-22-12-5-3-10-20(22)28/h2-14H,1H3
InChIKeyWJCAERUFQBIPMS-UHFFFAOYSA-N
XLogP7.27
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]phenothiazine?
The IUPAC name of 10-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]phenothiazine (CID 118920503) is 10-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]phenothiazine.
What is the SMILES notation for 10-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]phenothiazine?
The canonical SMILES for 10-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]phenothiazine is Cc1cccc(-c2c(F)cncc2F)c1N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 10-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]phenothiazine?
The InChIKey is WJCAERUFQBIPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N2S/c1-15-7-6-8-16(23-17(25)13-27-14-18(23)26)24(15)28-19-9-2-4-11-21(19)29-22-12-5-3-10-20(22)28/h2-14H,1H3.
What are the key properties of 10-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]phenothiazine?
10-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]phenothiazine has a molecular weight of 402.47 g/mol, XLogP of 7.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]phenothiazine is sourced from PubChem (CID 118920503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).