6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde

C16H10Cl2FNO — CID 102856701

IUPAC6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde
SMILESO=Cc1cn(Cc2cccc(Cl)c2F)c2cc(Cl)ccc12
InChIInChI=1S/C16H10Cl2FNO/c17-12-4-5-13-11(9-21)8-20(15(13)6-12)7-10-2-1-3-14(18)16(10)19/h1-6,8-9H,7H2
InChIKeyRTRHDECINBZFSC-UHFFFAOYSA-N
MW322.17 g/mol
LogP4.95
Rot. Bonds3

About 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde

6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde (PubChem CID 102856701) has the molecular formula C16H10Cl2FNO and a molecular weight of 322.17 g/mol. Its IUPAC name is 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde
PubChem CID102856701
Molecular FormulaC16H10Cl2FNO
Molecular Weight322.17 g/mol
Exact Mass321.01
IUPAC Name6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde
SMILESO=Cc1cn(Cc2cccc(Cl)c2F)c2cc(Cl)ccc12
InChIInChI=1S/C16H10Cl2FNO/c17-12-4-5-13-11(9-21)8-20(15(13)6-12)7-10-2-1-3-14(18)16(10)19/h1-6,8-9H,7H2
InChIKeyRTRHDECINBZFSC-UHFFFAOYSA-N
XLogP4.95
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 54.95
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

1-[(4-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde
CID 114851412
1-[(2,3-dichlorophenyl)methyl]indole-3-carbaldehyde
CID 107307208
6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde
CID 59494814
6-chloro-1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde;6-chloro-1H-indole
CID 159077823
6-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carbaldehyde
CID 82885893
1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
CID 872445
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-formylindole-6-carboxamide
CID 166957682
5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde
CID 2060019
4,6-dichloro-1-[(2,3-difluorophenyl)methyl]indole
CID 103428267
1-bromo-6-chloroindole-3-carbaldehyde
CID 90421604
2-(5-bromo-3-formylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 130324901
8-amino-6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carbaldehyde
CID 89189564

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde?
The IUPAC name of 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde (CID 102856701) is 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde.
What is the SMILES notation for 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde?
The canonical SMILES for 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde is O=Cc1cn(Cc2cccc(Cl)c2F)c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde?
The InChIKey is RTRHDECINBZFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FNO/c17-12-4-5-13-11(9-21)8-20(15(13)6-12)7-10-2-1-3-14(18)16(10)19/h1-6,8-9H,7H2.
What are the key properties of 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde?
6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde has a molecular weight of 322.17 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]indole-3-carbaldehyde is sourced from PubChem (CID 102856701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).