3-bromo-6-chloro-1-benzothiophene-2-carbaldehyde

C9H4BrClOS — CID 84743299

IUPAC3-bromo-6-chloro-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1sc2cc(Cl)ccc2c1Br
InChIInChI=1S/C9H4BrClOS/c10-9-6-2-1-5(11)3-7(6)13-8(9)4-12/h1-4H
InChIKeyQIPXWNKEIFAODY-UHFFFAOYSA-N
MW275.55 g/mol
LogP4.13
Rot. Bonds1

About 3-bromo-6-chloro-1-benzothiophene-2-carbaldehyde

3-bromo-6-chloro-1-benzothiophene-2-carbaldehyde (PubChem CID 84743299) has the molecular formula C9H4BrClOS and a molecular weight of 275.55 g/mol. Its IUPAC name is 3-bromo-6-chloro-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-bromo-6-chloro-1-benzothiophene-2-carbaldehyde
PubChem CID84743299
Molecular FormulaC9H4BrClOS
Molecular Weight275.55 g/mol
Exact Mass273.89
IUPAC Name3-bromo-6-chloro-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1sc2cc(Cl)ccc2c1Br
InChIInChI=1S/C9H4BrClOS/c10-9-6-2-1-5(11)3-7(6)13-8(9)4-12/h1-4H
InChIKeyQIPXWNKEIFAODY-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.55
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-methyl-1-benzothiophene-2-carbaldehyde
CID 118255758
6-chloro-3-propan-2-yl-1-benzothiophene-2-carbaldehyde
CID 82374301
2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole
CID 12549782
6-bromo-3-methyl-1-benzothiophene-2-carbaldehyde
CID 58918001
2-bromo-6-chloro-1-benzothiophene-3-carbonitrile
CID 131053408
7-chloro-2-sulfanylthiochromen-4-one
CID 11172237
3,6-dichloro-2-iodo-1-benzothiophene
CID 131138112
7-chloro-2,4-difluorodibenzothiophene
CID 156704591
3,6-dichloro-2-methyl-1-benzothiophene;ethane
CID 144669158
6-(bromomethyl)-3-fluoro-1-benzothiophene-2-carbaldehyde
CID 130898250
6-(chloromethyl)-3-sulfanyl-1-benzothiophene-2-carbaldehyde
CID 130985514
6-hydroxy-3-sulfanyl-1-benzothiophene-2-carbaldehyde
CID 131196551

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 3-bromo-6-chloro-1-benzothiophene-2-carbaldehyde (CID 84743299) is 3-bromo-6-chloro-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 3-bromo-6-chloro-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 3-bromo-6-chloro-1-benzothiophene-2-carbaldehyde is O=Cc1sc2cc(Cl)ccc2c1Br.
What is the InChIKey of 3-bromo-6-chloro-1-benzothiophene-2-carbaldehyde?
The InChIKey is QIPXWNKEIFAODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClOS/c10-9-6-2-1-5(11)3-7(6)13-8(9)4-12/h1-4H.
What are the key properties of 3-bromo-6-chloro-1-benzothiophene-2-carbaldehyde?
3-bromo-6-chloro-1-benzothiophene-2-carbaldehyde has a molecular weight of 275.55 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 84743299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).