9-(1,6-naphthyridin-7-yl)-[1]benzothiolo[3,2-b]pyridine

C19H11N3S — CID 168746906

IUPAC9-(1,6-naphthyridin-7-yl)-[1]benzothiolo[3,2-b]pyridine
SMILESc1cnc2cc(-c3cccc4sc5cccnc5c34)ncc2c1
InChIInChI=1S/C19H11N3S/c1-5-13(15-10-14-12(11-22-15)4-2-8-20-14)18-16(6-1)23-17-7-3-9-21-19(17)18/h1-11H
InChIKeyURXYSSGYHFTWFK-UHFFFAOYSA-N
MW313.38 g/mol
LogP5.06
Rot. Bonds1

About 9-(1,6-naphthyridin-7-yl)-[1]benzothiolo[3,2-b]pyridine

9-(1,6-naphthyridin-7-yl)-[1]benzothiolo[3,2-b]pyridine (PubChem CID 168746906) has the molecular formula C19H11N3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 9-(1,6-naphthyridin-7-yl)-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name9-(1,6-naphthyridin-7-yl)-[1]benzothiolo[3,2-b]pyridine
PubChem CID168746906
Molecular FormulaC19H11N3S
Molecular Weight313.38 g/mol
Exact Mass313.07
IUPAC Name9-(1,6-naphthyridin-7-yl)-[1]benzothiolo[3,2-b]pyridine
SMILESc1cnc2cc(-c3cccc4sc5cccnc5c34)ncc2c1
InChIInChI=1S/C19H11N3S/c1-5-13(15-10-14-12(11-22-15)4-2-8-20-14)18-16(6-1)23-17-7-3-9-21-19(17)18/h1-11H
InChIKeyURXYSSGYHFTWFK-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-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-b]pyridine
CID 168745792
9-quinolin-8-yl-[1]benzothiolo[2,3-b]pyrazine
CID 168746738
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
9-methyl-[1]benzothiolo[3,2-b]pyridine
CID 118243263
2-phenyl-9-(9-quinolin-7-yldibenzothiophen-2-yl)-1,10-phenanthroline
CID 153277474
4-(1,6-naphthyridin-7-yl)phenol
CID 135487449
10-[8-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]benzo[h][1,6]naphthyridine
CID 146300765
3-[5-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-f]quinoline
CID 138739195
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
2-(9-isoquinolin-5-yldibenzothiophen-2-yl)-1,10-phenanthroline
CID 153277511
7-fluoro-1,6-naphthyridine
CID 58547450

Frequently Asked Questions

What is the IUPAC name of 9-(1,6-naphthyridin-7-yl)-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 9-(1,6-naphthyridin-7-yl)-[1]benzothiolo[3,2-b]pyridine (CID 168746906) is 9-(1,6-naphthyridin-7-yl)-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 9-(1,6-naphthyridin-7-yl)-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 9-(1,6-naphthyridin-7-yl)-[1]benzothiolo[3,2-b]pyridine is c1cnc2cc(-c3cccc4sc5cccnc5c34)ncc2c1.
What is the InChIKey of 9-(1,6-naphthyridin-7-yl)-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is URXYSSGYHFTWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3S/c1-5-13(15-10-14-12(11-22-15)4-2-8-20-14)18-16(6-1)23-17-7-3-9-21-19(17)18/h1-11H.
What are the key properties of 9-(1,6-naphthyridin-7-yl)-[1]benzothiolo[3,2-b]pyridine?
9-(1,6-naphthyridin-7-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-(1,6-naphthyridin-7-yl)-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 168746906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).