4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile

C17H8F2N4S — CID 146669264

IUPAC4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile
SMILESN#Cc1c(F)nc(N2c3ccccc3Sc3ccccc32)nc1F
InChIInChI=1S/C17H8F2N4S/c18-15-10(9-20)16(19)22-17(21-15)23-11-5-1-3-7-13(11)24-14-8-4-2-6-12(14)23/h1-8H
InChIKeyLRHFBJGGNPLOFL-UHFFFAOYSA-N
MW338.34 g/mol
LogP4.56
Rot. Bonds1

About 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile

4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile (PubChem CID 146669264) has the molecular formula C17H8F2N4S and a molecular weight of 338.34 g/mol. Its IUPAC name is 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile
PubChem CID146669264
Molecular FormulaC17H8F2N4S
Molecular Weight338.34 g/mol
Exact Mass338.04
IUPAC Name4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile
SMILESN#Cc1c(F)nc(N2c3ccccc3Sc3ccccc32)nc1F
InChIInChI=1S/C17H8F2N4S/c18-15-10(9-20)16(19)22-17(21-15)23-11-5-1-3-7-13(11)24-14-8-4-2-6-12(14)23/h1-8H
InChIKeyLRHFBJGGNPLOFL-UHFFFAOYSA-N
XLogP4.56
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4,6-tetra(phenothiazin-10-yl)-5-(trifluoromethyl)benzonitrile
CID 134169867
6-phenothiazin-10-ylbenzo[a]anthracene-5-carbonitrile
CID 145009594
2-tert-butyl-4,6-di(phenothiazin-10-yl)benzene-1,3-dicarbonitrile
CID 139550200
phenothiazine-10-carbonitrile
CID 15926111
10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 177493168
2-butyl-5-iodo-4,6-di(phenothiazin-10-yl)benzene-1,3-dicarbonitrile
CID 170275415
10-[7,11-di(phenothiazin-10-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]phenothiazine
CID 67476601
5-(2-phenothiazin-10-ylphenyl)pyridine-2-carbonitrile
CID 146538293
4-[2-(2-phenothiazin-10-ylphenyl)phenyl]pyridine-3-carbonitrile
CID 146543457
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
3-[2-[3,7-di(phenothiazin-10-yl)phenothiazin-10-yl]phenyl]benzene-1,2-dicarbonitrile
CID 122435681
4,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(10-phenylphenothiazin-1-yl)benzene-1,3-dicarbonitrile
CID 137369213

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile (CID 146669264) is 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile is N#Cc1c(F)nc(N2c3ccccc3Sc3ccccc32)nc1F.
What is the InChIKey of 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile?
The InChIKey is LRHFBJGGNPLOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8F2N4S/c18-15-10(9-20)16(19)22-17(21-15)23-11-5-1-3-7-13(11)24-14-8-4-2-6-12(14)23/h1-8H.
What are the key properties of 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile?
4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile has a molecular weight of 338.34 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-phenothiazin-10-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 146669264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).