4-bromo-6-chloro-2H-[1]benzothiolo[3,2-c]pyridin-1-one

C11H5BrClNOS — CID 59198445

IUPAC4-bromo-6-chloro-2H-[1]benzothiolo[3,2-c]pyridin-1-one
SMILESO=c1[nH]cc(Br)c2sc3c(Cl)cccc3c12
InChIInChI=1S/C11H5BrClNOS/c12-6-4-14-11(15)8-5-2-1-3-7(13)9(5)16-10(6)8/h1-4H,(H,14,15)
InChIKeyNFMCACJVXRQVFF-UHFFFAOYSA-N
MW314.59 g/mol
LogP4.16
Rot. Bonds

About 4-bromo-6-chloro-2H-[1]benzothiolo[3,2-c]pyridin-1-one

4-bromo-6-chloro-2H-[1]benzothiolo[3,2-c]pyridin-1-one (PubChem CID 59198445) has the molecular formula C11H5BrClNOS and a molecular weight of 314.59 g/mol. Its IUPAC name is 4-bromo-6-chloro-2H-[1]benzothiolo[3,2-c]pyridin-1-one.

Molecular Properties

Compound Name4-bromo-6-chloro-2H-[1]benzothiolo[3,2-c]pyridin-1-one
PubChem CID59198445
Molecular FormulaC11H5BrClNOS
Molecular Weight314.59 g/mol
Exact Mass312.90
IUPAC Name4-bromo-6-chloro-2H-[1]benzothiolo[3,2-c]pyridin-1-one
SMILESO=c1[nH]cc(Br)c2sc3c(Cl)cccc3c12
InChIInChI=1S/C11H5BrClNOS/c12-6-4-14-11(15)8-5-2-1-3-7(13)9(5)16-10(6)8/h1-4H,(H,14,15)
InChIKeyNFMCACJVXRQVFF-UHFFFAOYSA-N
XLogP4.16
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.59
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-2H-[1]benzothiolo[3,2-c]pyridin-1-one?
The IUPAC name of 4-bromo-6-chloro-2H-[1]benzothiolo[3,2-c]pyridin-1-one (CID 59198445) is 4-bromo-6-chloro-2H-[1]benzothiolo[3,2-c]pyridin-1-one.
What is the SMILES notation for 4-bromo-6-chloro-2H-[1]benzothiolo[3,2-c]pyridin-1-one?
The canonical SMILES for 4-bromo-6-chloro-2H-[1]benzothiolo[3,2-c]pyridin-1-one is O=c1[nH]cc(Br)c2sc3c(Cl)cccc3c12.
What is the InChIKey of 4-bromo-6-chloro-2H-[1]benzothiolo[3,2-c]pyridin-1-one?
The InChIKey is NFMCACJVXRQVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClNOS/c12-6-4-14-11(15)8-5-2-1-3-7(13)9(5)16-10(6)8/h1-4H,(H,14,15).
What are the key properties of 4-bromo-6-chloro-2H-[1]benzothiolo[3,2-c]pyridin-1-one?
4-bromo-6-chloro-2H-[1]benzothiolo[3,2-c]pyridin-1-one has a molecular weight of 314.59 g/mol, XLogP of 4.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-2H-[1]benzothiolo[3,2-c]pyridin-1-one is sourced from PubChem (CID 59198445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).