3,4-dichloro-[1]benzothiolo[2,3-b]pyridine

C11H5Cl2NS — CID 12580094

IUPAC3,4-dichloro-[1]benzothiolo[2,3-b]pyridine
SMILESClc1cnc2sc3ccccc3c2c1Cl
InChIInChI=1S/C11H5Cl2NS/c12-7-5-14-11-9(10(7)13)6-3-1-2-4-8(6)15-11/h1-5H
InChIKeyFGTVSBFEZPIGBG-UHFFFAOYSA-N
MW254.14 g/mol
LogP4.76
Rot. Bonds

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

3,4-dichloro-[1]benzothiolo[2,3-b]pyridine (PubChem CID 12580094) has the molecular formula C11H5Cl2NS and a molecular weight of 254.14 g/mol. Its IUPAC name is 3,4-dichloro-[1]benzothiolo[2,3-b]pyridine.

Molecular Properties

Compound Name3,4-dichloro-[1]benzothiolo[2,3-b]pyridine
PubChem CID12580094
Molecular FormulaC11H5Cl2NS
Molecular Weight254.14 g/mol
Exact Mass252.95
IUPAC Name3,4-dichloro-[1]benzothiolo[2,3-b]pyridine
SMILESClc1cnc2sc3ccccc3c2c1Cl
InChIInChI=1S/C11H5Cl2NS/c12-7-5-14-11-9(10(7)13)6-3-1-2-4-8(6)15-11/h1-5H
InChIKeyFGTVSBFEZPIGBG-UHFFFAOYSA-N
XLogP4.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1]benzothiolo[2,3-b][1]benzothiole
CID 683562
3-(3-dibenzothiophen-3-ylphenyl)-[1]benzothiolo[2,3-c]isoquinoline
CID 129134389
7-chloro-[1]benzothiolo[3,2-b]quinoxaline
CID 156801307
22-thia-25-azahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(25),2,4,6,8,10,12,14,16,18,20,23-dodecaene
CID 10664524
1-(3-chloro-1-benzothiophen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103700769
[1]benzothiolo[2,3-d]pyrimidine
CID 23330410
18-chloro-23-thia-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene
CID 139337272
2-chloro-4-(3,5-diphenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine
CID 118551559
N-[(2-methylphenyl)methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 71456855
10,12,14,16,18-pentathiaheptacyclo[13.10.0.02,13.03,11.04,9.017,25.019,24]pentacosa-1(15),2(13),3(11),4,6,8,17(25),19,21,23-decaene
CID 132936745
[1]benzothiolo[2,3-h]isoquinoline
CID 14871970
dibenzothiophene;methane
CID 162233710

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-[1]benzothiolo[2,3-b]pyridine?
The IUPAC name of 3,4-dichloro-[1]benzothiolo[2,3-b]pyridine (CID 12580094) is 3,4-dichloro-[1]benzothiolo[2,3-b]pyridine.
What is the SMILES notation for 3,4-dichloro-[1]benzothiolo[2,3-b]pyridine?
The canonical SMILES for 3,4-dichloro-[1]benzothiolo[2,3-b]pyridine is Clc1cnc2sc3ccccc3c2c1Cl.
What is the InChIKey of 3,4-dichloro-[1]benzothiolo[2,3-b]pyridine?
The InChIKey is FGTVSBFEZPIGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2NS/c12-7-5-14-11-9(10(7)13)6-3-1-2-4-8(6)15-11/h1-5H.
What are the key properties of 3,4-dichloro-[1]benzothiolo[2,3-b]pyridine?
3,4-dichloro-[1]benzothiolo[2,3-b]pyridine has a molecular weight of 254.14 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 12580094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).