6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde

C11H9Cl2NO2 — CID 83947534

IUPAC6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde
SMILESO=Cc1cn(CCO)c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C11H9Cl2NO2/c12-9-2-1-8-7(6-16)5-14(3-4-15)11(8)10(9)13/h1-2,5-6,15H,3-4H2
InChIKeyATLKOWOXCLPXJA-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.75
Rot. Bonds3

About 6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde

6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde (PubChem CID 83947534) has the molecular formula C11H9Cl2NO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is 6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde
PubChem CID83947534
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
Exact Mass257.00
IUPAC Name6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde
SMILESO=Cc1cn(CCO)c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C11H9Cl2NO2/c12-9-2-1-8-7(6-16)5-14(3-4-15)11(8)10(9)13/h1-2,5-6,15H,3-4H2
InChIKeyATLKOWOXCLPXJA-UHFFFAOYSA-N
XLogP2.75
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-(2-hydroxyethyl)indole-3-carbaldehyde
CID 83499030
3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol
CID 83944807
methyl 6,7-dichloro-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83947544
2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid
CID 83945122
2-(6,7-dichloro-3-methylindol-1-yl)ethanamine
CID 83948496
2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine
CID 83948501
8-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carbaldehyde
CID 89189564
2-(6,7-dichloro-1-methylindol-3-yl)acetic acid
CID 83944788
2,8-bis(2-hydroxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridine-4,6-dicarbaldehyde
CID 101008202
1-[(2,3-dichlorophenyl)methyl]indole-3-carbaldehyde
CID 107307208
1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]indole-3-carbaldehyde
CID 82164226
3,4-dichloro-2-(4-methylbenzoyl)benzaldehyde
CID 173369979

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde?
The IUPAC name of 6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde (CID 83947534) is 6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde.
What is the SMILES notation for 6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde?
The canonical SMILES for 6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde is O=Cc1cn(CCO)c2c(Cl)c(Cl)ccc12.
What is the InChIKey of 6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde?
The InChIKey is ATLKOWOXCLPXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2/c12-9-2-1-8-7(6-16)5-14(3-4-15)11(8)10(9)13/h1-2,5-6,15H,3-4H2.
What are the key properties of 6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde?
6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde has a molecular weight of 258.10 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde is sourced from PubChem (CID 83947534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).