10-[(2-chloro-6-fluorophenyl)methyl]pyrido[3,2-b][1,4]benzothiazine

C18H12ClFN2S — CID 3743905

IUPAC10-[(2-chloro-6-fluorophenyl)methyl]pyrido[3,2-b][1,4]benzothiazine
SMILESFc1cccc(Cl)c1CN1c2ccccc2Sc2cccnc21
InChIInChI=1S/C18H12ClFN2S/c19-13-5-3-6-14(20)12(13)11-22-15-7-1-2-8-16(15)23-17-9-4-10-21-18(17)22/h1-10H,11H2
InChIKeyJOJBVNILOUDPAD-UHFFFAOYSA-N
MW342.83 g/mol
LogP5.68
Rot. Bonds2

About 10-[(2-chloro-6-fluorophenyl)methyl]pyrido[3,2-b][1,4]benzothiazine

10-[(2-chloro-6-fluorophenyl)methyl]pyrido[3,2-b][1,4]benzothiazine (PubChem CID 3743905) has the molecular formula C18H12ClFN2S and a molecular weight of 342.83 g/mol. Its IUPAC name is 10-[(2-chloro-6-fluorophenyl)methyl]pyrido[3,2-b][1,4]benzothiazine.

Molecular Properties

Compound Name10-[(2-chloro-6-fluorophenyl)methyl]pyrido[3,2-b][1,4]benzothiazine
PubChem CID3743905
Molecular FormulaC18H12ClFN2S
Molecular Weight342.83 g/mol
Exact Mass342.04
IUPAC Name10-[(2-chloro-6-fluorophenyl)methyl]pyrido[3,2-b][1,4]benzothiazine
SMILESFc1cccc(Cl)c1CN1c2ccccc2Sc2cccnc21
InChIInChI=1S/C18H12ClFN2S/c19-13-5-3-6-14(20)12(13)11-22-15-7-1-2-8-16(15)23-17-9-4-10-21-18(17)22/h1-10H,11H2
InChIKeyJOJBVNILOUDPAD-UHFFFAOYSA-N
XLogP5.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.83
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trimethyl(1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-yl)azanium
CID 110173961
4-[(2-chloro-6-fluorophenyl)methyl]-2-(2,5-difluorophenyl)-1,2,4-benzothiadiazin-3-one
CID 118046246
dimethyl-bis(2-pyrido[3,2-b][1,4]benzothiazin-10-ylethyl)azanium
CID 68631134
cyclopentane;dimethyl-bis(2-pyrido[3,2-b][1,4]benzothiazin-10-ylethyl)azanium
CID 68631133
N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine;hydron;chloride
CID 74763974
1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione
CID 82117290
4-[(2-chloro-6-fluorophenyl)methyl]-2-(oxan-4-ylmethyl)-1,2,4-benzothiadiazin-3-one
CID 90022646
3-pyrido[3,2-b][1,4]benzothiazin-10-yl-N,N-bis(trideuteriomethyl)propan-1-amine
CID 71751860
2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one
CID 99844131
(5Z)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2-chloro-6-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6020032
3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazin-2-one
CID 114561600
3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine
CID 139362521

Frequently Asked Questions

What is the IUPAC name of 10-[(2-chloro-6-fluorophenyl)methyl]pyrido[3,2-b][1,4]benzothiazine?
The IUPAC name of 10-[(2-chloro-6-fluorophenyl)methyl]pyrido[3,2-b][1,4]benzothiazine (CID 3743905) is 10-[(2-chloro-6-fluorophenyl)methyl]pyrido[3,2-b][1,4]benzothiazine.
What is the SMILES notation for 10-[(2-chloro-6-fluorophenyl)methyl]pyrido[3,2-b][1,4]benzothiazine?
The canonical SMILES for 10-[(2-chloro-6-fluorophenyl)methyl]pyrido[3,2-b][1,4]benzothiazine is Fc1cccc(Cl)c1CN1c2ccccc2Sc2cccnc21.
What is the InChIKey of 10-[(2-chloro-6-fluorophenyl)methyl]pyrido[3,2-b][1,4]benzothiazine?
The InChIKey is JOJBVNILOUDPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2S/c19-13-5-3-6-14(20)12(13)11-22-15-7-1-2-8-16(15)23-17-9-4-10-21-18(17)22/h1-10H,11H2.
What are the key properties of 10-[(2-chloro-6-fluorophenyl)methyl]pyrido[3,2-b][1,4]benzothiazine?
10-[(2-chloro-6-fluorophenyl)methyl]pyrido[3,2-b][1,4]benzothiazine has a molecular weight of 342.83 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2-chloro-6-fluorophenyl)methyl]pyrido[3,2-b][1,4]benzothiazine is sourced from PubChem (CID 3743905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).