3-fluoro-10-(6-pyridin-4-yl-3-pyridinyl)phenothiazine

C22H14FN3S — CID 15982742

IUPAC3-fluoro-10-(6-pyridin-4-yl-3-pyridinyl)phenothiazine
SMILESFc1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2ccncc2)nc1
InChIInChI=1S/C22H14FN3S/c23-16-5-8-20-22(13-16)27-21-4-2-1-3-19(21)26(20)17-6-7-18(25-14-17)15-9-11-24-12-10-15/h1-14H
InChIKeyUQJIUMOKILIGCB-UHFFFAOYSA-N
MW371.44 g/mol
LogP6.22
Rot. Bonds2

About 3-fluoro-10-(6-pyridin-4-yl-3-pyridinyl)phenothiazine

3-fluoro-10-(6-pyridin-4-yl-3-pyridinyl)phenothiazine (PubChem CID 15982742) has the molecular formula C22H14FN3S and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-fluoro-10-(6-pyridin-4-yl-3-pyridinyl)phenothiazine.

Molecular Properties

Compound Name3-fluoro-10-(6-pyridin-4-yl-3-pyridinyl)phenothiazine
PubChem CID15982742
Molecular FormulaC22H14FN3S
Molecular Weight371.44 g/mol
Exact Mass371.09
IUPAC Name3-fluoro-10-(6-pyridin-4-yl-3-pyridinyl)phenothiazine
SMILESFc1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2ccncc2)nc1
InChIInChI=1S/C22H14FN3S/c23-16-5-8-20-22(13-16)27-21-4-2-1-3-19(21)26(20)17-6-7-18(25-14-17)15-9-11-24-12-10-15/h1-14H
InChIKeyUQJIUMOKILIGCB-UHFFFAOYSA-N
XLogP6.22
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-10-(6-pyridin-4-yl-3-pyridinyl)phenothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-10-(6-pyridin-4-yl-3-pyridinyl)phenothiazine?
The IUPAC name of 3-fluoro-10-(6-pyridin-4-yl-3-pyridinyl)phenothiazine (CID 15982742) is 3-fluoro-10-(6-pyridin-4-yl-3-pyridinyl)phenothiazine.
What is the SMILES notation for 3-fluoro-10-(6-pyridin-4-yl-3-pyridinyl)phenothiazine?
The canonical SMILES for 3-fluoro-10-(6-pyridin-4-yl-3-pyridinyl)phenothiazine is Fc1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2ccncc2)nc1.
What is the InChIKey of 3-fluoro-10-(6-pyridin-4-yl-3-pyridinyl)phenothiazine?
The InChIKey is UQJIUMOKILIGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN3S/c23-16-5-8-20-22(13-16)27-21-4-2-1-3-19(21)26(20)17-6-7-18(25-14-17)15-9-11-24-12-10-15/h1-14H.
What are the key properties of 3-fluoro-10-(6-pyridin-4-yl-3-pyridinyl)phenothiazine?
3-fluoro-10-(6-pyridin-4-yl-3-pyridinyl)phenothiazine has a molecular weight of 371.44 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-10-(6-pyridin-4-yl-3-pyridinyl)phenothiazine is sourced from PubChem (CID 15982742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).