[1]benzothiolo[3,2-b]pyridine;pyridine

C16H12N2S — CID 158699365

IUPAC[1]benzothiolo[3,2-b]pyridine;pyridine
SMILESc1ccc2c(c1)sc1cccnc12.c1ccncc1
InChIInChI=1S/C11H7NS.C5H5N/c1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-6-5-3-1/h1-7H;1-5H
InChIKeyIHINLJDNDXSJBS-UHFFFAOYSA-N
MW264.35 g/mol
LogP4.53
Rot. Bonds

About [1]benzothiolo[3,2-b]pyridine;pyridine

[1]benzothiolo[3,2-b]pyridine;pyridine (PubChem CID 158699365) has the molecular formula C16H12N2S and a molecular weight of 264.35 g/mol. Its IUPAC name is [1]benzothiolo[3,2-b]pyridine;pyridine.

Molecular Properties

Compound Name[1]benzothiolo[3,2-b]pyridine;pyridine
PubChem CID158699365
Molecular FormulaC16H12N2S
Molecular Weight264.35 g/mol
Exact Mass264.07
IUPAC Name[1]benzothiolo[3,2-b]pyridine;pyridine
SMILESc1ccc2c(c1)sc1cccnc12.c1ccncc1
InChIInChI=1S/C11H7NS.C5H5N/c1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-6-5-3-1/h1-7H;1-5H
InChIKeyIHINLJDNDXSJBS-UHFFFAOYSA-N
XLogP4.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1]benzothiolo[3,2-b]pyridine
CID 174218515
5,6-dimethyl-1,7-phenanthroline
CID 67494959
4-quinolin-8-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 168746995
5-dibenzothiophen-4-yl-10-phenylbenzo[g]quinoline
CID 59183677
2-phenyl-[1]benzothiolo[3,2-b]pyridine
CID 69206815
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 70992961
8-[8-([1]benzothiolo[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]oxy-[1]benzothiolo[3,2-b]pyridine
CID 90250479
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
6-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 177115898
dibenzothiophene;methane
CID 162233710
N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121295312

Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[3,2-b]pyridine;pyridine?
The IUPAC name of [1]benzothiolo[3,2-b]pyridine;pyridine (CID 158699365) is [1]benzothiolo[3,2-b]pyridine;pyridine.
What is the SMILES notation for [1]benzothiolo[3,2-b]pyridine;pyridine?
The canonical SMILES for [1]benzothiolo[3,2-b]pyridine;pyridine is c1ccc2c(c1)sc1cccnc12.c1ccncc1.
What is the InChIKey of [1]benzothiolo[3,2-b]pyridine;pyridine?
The InChIKey is IHINLJDNDXSJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NS.C5H5N/c1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-6-5-3-1/h1-7H;1-5H.
What are the key properties of [1]benzothiolo[3,2-b]pyridine;pyridine?
[1]benzothiolo[3,2-b]pyridine;pyridine has a molecular weight of 264.35 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[3,2-b]pyridine;pyridine is sourced from PubChem (CID 158699365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).