9-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-b]pyridine

C19H11N3S — CID 168745792

IUPAC9-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-b]pyridine
SMILESc1cnc2c(c1)sc1cccc(-c3cc4cnccc4cn3)c12
InChIInChI=1S/C19H11N3S/c1-3-14(15-9-13-10-20-8-6-12(13)11-22-15)18-16(4-1)23-17-5-2-7-21-19(17)18/h1-11H
InChIKeyYGNPECFMJLZHNJ-UHFFFAOYSA-N
MW313.38 g/mol
LogP5.06
Rot. Bonds1

About 9-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-b]pyridine

9-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-b]pyridine (PubChem CID 168745792) has the molecular formula C19H11N3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 9-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name9-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-b]pyridine
PubChem CID168745792
Molecular FormulaC19H11N3S
Molecular Weight313.38 g/mol
Exact Mass313.07
IUPAC Name9-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-b]pyridine
SMILESc1cnc2c(c1)sc1cccc(-c3cc4cnccc4cn3)c12
InChIInChI=1S/C19H11N3S/c1-3-14(15-9-13-10-20-8-6-12(13)11-22-15)18-16(4-1)23-17-5-2-7-21-19(17)18/h1-11H
InChIKeyYGNPECFMJLZHNJ-UHFFFAOYSA-N
XLogP5.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.38
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(1,6-naphthyridin-7-yl)-[1]benzothiolo[3,2-b]pyridine
CID 168746906
1-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-c]pyridine
CID 168746343
2-[9-isoquinolin-7-yl-6-[7-[8-(1,10-phenanthrolin-2-yl)dibenzothiophen-1-yl]isoquinolin-3-yl]dibenzothiophen-2-yl]-9-phenyl-1,10-phenanthroline
CID 147525340
3-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-5-yl)isoquinoline
CID 154600565
12-isoquinolin-3-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 168746653
2-(9-isoquinolin-5-yldibenzothiophen-2-yl)-1,10-phenanthroline
CID 153277511
9-methyl-[1]benzothiolo[3,2-b]pyridine
CID 118243263
9-quinolin-8-yl-[1]benzothiolo[2,3-b]pyrazine
CID 168746738
2-(9-isoquinolin-6-yldibenzothiophen-2-yl)-9-phenyl-1,10-phenanthroline
CID 146210879
12-isoquinolin-3-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 168746887
17-thia-5,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 160830571
2-[7-(15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)naphthalen-2-yl]-1,10-phenanthroline
CID 171057171

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 9-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-b]pyridine (CID 168745792) is 9-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 9-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 9-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-b]pyridine is c1cnc2c(c1)sc1cccc(-c3cc4cnccc4cn3)c12.
What is the InChIKey of 9-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is YGNPECFMJLZHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3S/c1-3-14(15-9-13-10-20-8-6-12(13)11-22-15)18-16(4-1)23-17-5-2-7-21-19(17)18/h1-11H.
What are the key properties of 9-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-b]pyridine?
9-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 313.38 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 168745792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).