disodium;2-chloro-3-(1-oxido-5,6,7,8-tetrahydronaphthalen-2-yl)-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-4-olate

C23H16ClNNa2O3S — CID 72700731

IUPACdisodium;2-chloro-3-(1-oxido-5,6,7,8-tetrahydronaphthalen-2-yl)-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-4-olate
SMILESO=c1[nH]c2sc(Cl)c(-c3ccc4c(c3[O-])CCCC4)c2c([O-])c1-c1ccccc1.[Na+].[Na+]
InChIInChI=1S/C23H18ClNO3S.2Na/c24-21-17(15-11-10-12-6-4-5-9-14(12)19(15)26)18-20(27)16(13-7-2-1-3-8-13)22(28)25-23(18)29-21;;/h1-3,7-8,10-11,26H,4-6,9H2,(H2,25,27,28);;/q;2*+1/p-2
InChIKeyYZTWYBVYYFTGLJ-UHFFFAOYSA-L
MW467.89 g/mol
LogP-1.39
Rot. Bonds2

About disodium;2-chloro-3-(1-oxido-5,6,7,8-tetrahydronaphthalen-2-yl)-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-4-olate

disodium;2-chloro-3-(1-oxido-5,6,7,8-tetrahydronaphthalen-2-yl)-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-4-olate (PubChem CID 72700731) has the molecular formula C23H16ClNNa2O3S and a molecular weight of 467.89 g/mol. Its IUPAC name is disodium;2-chloro-3-(1-oxido-5,6,7,8-tetrahydronaphthalen-2-yl)-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-4-olate.

Molecular Properties

Compound Namedisodium;2-chloro-3-(1-oxido-5,6,7,8-tetrahydronaphthalen-2-yl)-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-4-olate
PubChem CID72700731
Molecular FormulaC23H16ClNNa2O3S
Molecular Weight467.89 g/mol
Exact Mass467.03
IUPAC Namedisodium;2-chloro-3-(1-oxido-5,6,7,8-tetrahydronaphthalen-2-yl)-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-4-olate
SMILESO=c1[nH]c2sc(Cl)c(-c3ccc4c(c3[O-])CCCC4)c2c([O-])c1-c1ccccc1.[Na+].[Na+]
InChIInChI=1S/C23H18ClNO3S.2Na/c24-21-17(15-11-10-12-6-4-5-9-14(12)19(15)26)18-20(27)16(13-7-2-1-3-8-13)22(28)25-23(18)29-21;;/h1-3,7-8,10-11,26H,4-6,9H2,(H2,25,27,28);;/q;2*+1/p-2
InChIKeyYZTWYBVYYFTGLJ-UHFFFAOYSA-L
XLogP-1.39
TPSA78.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.89
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of disodium;2-chloro-3-(1-oxido-5,6,7,8-tetrahydronaphthalen-2-yl)-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-4-olate?
The IUPAC name of disodium;2-chloro-3-(1-oxido-5,6,7,8-tetrahydronaphthalen-2-yl)-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-4-olate (CID 72700731) is disodium;2-chloro-3-(1-oxido-5,6,7,8-tetrahydronaphthalen-2-yl)-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-4-olate.
What is the SMILES notation for disodium;2-chloro-3-(1-oxido-5,6,7,8-tetrahydronaphthalen-2-yl)-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-4-olate?
The canonical SMILES for disodium;2-chloro-3-(1-oxido-5,6,7,8-tetrahydronaphthalen-2-yl)-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-4-olate is O=c1[nH]c2sc(Cl)c(-c3ccc4c(c3[O-])CCCC4)c2c([O-])c1-c1ccccc1.[Na+].[Na+].
What is the InChIKey of disodium;2-chloro-3-(1-oxido-5,6,7,8-tetrahydronaphthalen-2-yl)-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-4-olate?
The InChIKey is YZTWYBVYYFTGLJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H18ClNO3S.2Na/c24-21-17(15-11-10-12-6-4-5-9-14(12)19(15)26)18-20(27)16(13-7-2-1-3-8-13)22(28)25-23(18)29-21;;/h1-3,7-8,10-11,26H,4-6,9H2,(H2,25,27,28);;/q;2*+1/p-2.
What are the key properties of disodium;2-chloro-3-(1-oxido-5,6,7,8-tetrahydronaphthalen-2-yl)-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-4-olate?
disodium;2-chloro-3-(1-oxido-5,6,7,8-tetrahydronaphthalen-2-yl)-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-4-olate has a molecular weight of 467.89 g/mol, XLogP of -1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-chloro-3-(1-oxido-5,6,7,8-tetrahydronaphthalen-2-yl)-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-4-olate is sourced from PubChem (CID 72700731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).