3-chloro-2-hydroxy-5-(pentafluoro-λ6-sulfanyl)benzaldehyde

C7H4ClF5O2S — CID 137412802

IUPAC3-chloro-2-hydroxy-5-(pentafluoro-λ6-sulfanyl)benzaldehyde
SMILESO=Cc1cc(S(F)(F)(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C7H4ClF5O2S/c8-6-2-5(16(9,10,11,12)13)1-4(3-14)7(6)15/h1-3,15H
InChIKeyGRNRYFMXDQAWHH-UHFFFAOYSA-N
MW282.62 g/mol
LogP4.52
Rot. Bonds2

About 3-chloro-2-hydroxy-5-(pentafluoro-λ6-sulfanyl)benzaldehyde

3-chloro-2-hydroxy-5-(pentafluoro-λ6-sulfanyl)benzaldehyde (PubChem CID 137412802) has the molecular formula C7H4ClF5O2S and a molecular weight of 282.62 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-5-(pentafluoro-λ6-sulfanyl)benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-hydroxy-5-(pentafluoro-λ6-sulfanyl)benzaldehyde
PubChem CID137412802
Molecular FormulaC7H4ClF5O2S
Molecular Weight282.62 g/mol
Exact Mass281.95
IUPAC Name3-chloro-2-hydroxy-5-(pentafluoro-λ6-sulfanyl)benzaldehyde
SMILESO=Cc1cc(S(F)(F)(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C7H4ClF5O2S/c8-6-2-5(16(9,10,11,12)13)1-4(3-14)7(6)15/h1-3,15H
InChIKeyGRNRYFMXDQAWHH-UHFFFAOYSA-N
XLogP4.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.62
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-2-hydroxybenzaldehyde;palladium(2+)
CID 175867579
3,5-difluoro-2,4-dihydroxybenzaldehyde
CID 18942327
5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde
CID 164964246
1-(3-chloro-5-formyl-4-hydroxyphenyl)-3-cyclohexylurea
CID 22932413
5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84778086
5-bromo-3-chloro-2,4-dihydroxybenzaldehyde
CID 14832396
4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde
CID 177311411
3-chloro-4,5-dihydroxybenzaldehyde
CID 2468182
2,5-dichloro-4-hydroxybenzaldehyde
CID 528381
5-chloro-2-hydroxy-3-(4-oxobut-1-enyl)benzaldehyde
CID 170482087
7-chloro-8-hydroxyquinoline-5-carbaldehyde
CID 102399147
3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde
CID 960764

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-5-(pentafluoro-λ6-sulfanyl)benzaldehyde?
The IUPAC name of 3-chloro-2-hydroxy-5-(pentafluoro-λ6-sulfanyl)benzaldehyde (CID 137412802) is 3-chloro-2-hydroxy-5-(pentafluoro-λ6-sulfanyl)benzaldehyde.
What is the SMILES notation for 3-chloro-2-hydroxy-5-(pentafluoro-λ6-sulfanyl)benzaldehyde?
The canonical SMILES for 3-chloro-2-hydroxy-5-(pentafluoro-λ6-sulfanyl)benzaldehyde is O=Cc1cc(S(F)(F)(F)(F)F)cc(Cl)c1O.
What is the InChIKey of 3-chloro-2-hydroxy-5-(pentafluoro-λ6-sulfanyl)benzaldehyde?
The InChIKey is GRNRYFMXDQAWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF5O2S/c8-6-2-5(16(9,10,11,12)13)1-4(3-14)7(6)15/h1-3,15H.
What are the key properties of 3-chloro-2-hydroxy-5-(pentafluoro-λ6-sulfanyl)benzaldehyde?
3-chloro-2-hydroxy-5-(pentafluoro-λ6-sulfanyl)benzaldehyde has a molecular weight of 282.62 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-5-(pentafluoro-λ6-sulfanyl)benzaldehyde is sourced from PubChem (CID 137412802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).