10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine

C23H15BrN2S — CID 67307696

IUPAC10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine
SMILESBrc1cc(-c2ccccn2)cc(N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C23H15BrN2S/c24-17-13-16(19-7-5-6-12-25-19)14-18(15-17)26-20-8-1-3-10-22(20)27-23-11-4-2-9-21(23)26/h1-15H
InChIKeyKINXPQMWFFVLGP-UHFFFAOYSA-N
MW431.36 g/mol
LogP7.45
Rot. Bonds2

About 10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine

10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine (PubChem CID 67307696) has the molecular formula C23H15BrN2S and a molecular weight of 431.36 g/mol. Its IUPAC name is 10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine.

Molecular Properties

Compound Name10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine
PubChem CID67307696
Molecular FormulaC23H15BrN2S
Molecular Weight431.36 g/mol
Exact Mass430.01
IUPAC Name10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine
SMILESBrc1cc(-c2ccccn2)cc(N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C23H15BrN2S/c24-17-13-16(19-7-5-6-12-25-19)14-18(15-17)26-20-8-1-3-10-22(20)27-23-11-4-2-9-21(23)26/h1-15H
InChIKeyKINXPQMWFFVLGP-UHFFFAOYSA-N
XLogP7.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.36
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine?
The IUPAC name of 10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine (CID 67307696) is 10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine.
What is the SMILES notation for 10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine?
The canonical SMILES for 10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine is Brc1cc(-c2ccccn2)cc(N2c3ccccc3Sc3ccccc32)c1.
What is the InChIKey of 10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine?
The InChIKey is KINXPQMWFFVLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrN2S/c24-17-13-16(19-7-5-6-12-25-19)14-18(15-17)26-20-8-1-3-10-22(20)27-23-11-4-2-9-21(23)26/h1-15H.
What are the key properties of 10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine?
10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine has a molecular weight of 431.36 g/mol, XLogP of 7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-bromo-5-pyridin-2-ylphenyl)phenothiazine is sourced from PubChem (CID 67307696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).