4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine

C17H10ClNS — CID 90196949

IUPAC4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine
SMILESClc1cc(-c2ccccc2)nc2c1sc1ccccc12
InChIInChI=1S/C17H10ClNS/c18-13-10-14(11-6-2-1-3-7-11)19-16-12-8-4-5-9-15(12)20-17(13)16/h1-10H
InChIKeyFMHSTYHILHMDHT-UHFFFAOYSA-N
MW295.79 g/mol
LogP5.77
Rot. Bonds1

About 4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine

4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine (PubChem CID 90196949) has the molecular formula C17H10ClNS and a molecular weight of 295.79 g/mol. Its IUPAC name is 4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine
PubChem CID90196949
Molecular FormulaC17H10ClNS
Molecular Weight295.79 g/mol
Exact Mass295.02
IUPAC Name4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine
SMILESClc1cc(-c2ccccc2)nc2c1sc1ccccc12
InChIInChI=1S/C17H10ClNS/c18-13-10-14(11-6-2-1-3-7-11)19-16-12-8-4-5-9-15(12)20-17(13)16/h1-10H
InChIKeyFMHSTYHILHMDHT-UHFFFAOYSA-N
XLogP5.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.79
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-[1]benzothiolo[3,2-b]pyridine
CID 69206815
4-chloro-2-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 170212449
5-chloro-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 171412005
4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 159932123
2-[3-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 122628625
4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;ethane
CID 159327254
11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[3,2-b]quinoline
CID 138661918
2-chloro-4-(4-phenylnaphthalen-1-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118544075
4-(3,5-diphenylphenyl)-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118229346
11-(4,6-diphenylpyrimidin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 155790822
2-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 130210493
4-chloro-5,8-difluoro-2-phenylquinoline
CID 43668636

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine (CID 90196949) is 4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine is Clc1cc(-c2ccccc2)nc2c1sc1ccccc12.
What is the InChIKey of 4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is FMHSTYHILHMDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClNS/c18-13-10-14(11-6-2-1-3-7-11)19-16-12-8-4-5-9-15(12)20-17(13)16/h1-10H.
What are the key properties of 4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine?
4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 295.79 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 90196949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).