4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde

C16H11Cl2NO — CID 3460263

IUPAC4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde
SMILESCc1ccc(Cl)c2c(C=O)c(-c3ccccc3Cl)[nH]c12
InChIInChI=1S/C16H11Cl2NO/c1-9-6-7-13(18)14-11(8-20)16(19-15(9)14)10-4-2-3-5-12(10)17/h2-8,19H,1H3
InChIKeyVSCRKKWYQZNAPM-UHFFFAOYSA-N
MW304.18 g/mol
LogP5.26
Rot. Bonds2

About 4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde

4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde (PubChem CID 3460263) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde
PubChem CID3460263
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde
SMILESCc1ccc(Cl)c2c(C=O)c(-c3ccccc3Cl)[nH]c12
InChIInChI=1S/C16H11Cl2NO/c1-9-6-7-13(18)14-11(8-20)16(19-15(9)14)10-4-2-3-5-12(10)17/h2-8,19H,1H3
InChIKeyVSCRKKWYQZNAPM-UHFFFAOYSA-N
XLogP5.26
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.18
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-4,7-dimethyl-1H-indole-3-carbaldehyde
CID 3829817
5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3370647
2-(2,5-difluorophenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde
CID 3753880
7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde
CID 123197725
2-(2,5-dichlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde
CID 3750935
2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
CID 3826061
5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde
CID 3776362
2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde
CID 5188805
4-[4-chloro-2-(2-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4989795
3-(2-chlorophenyl)-4-methyl-1H-pyrrole
CID 142279790
5-chloro-8-methyl-1H-quinazoline-2,4-dione
CID 114588951
4-chloro-2,7-dimethyl-1H-indole-3-sulfonyl chloride
CID 98770479

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde?
The IUPAC name of 4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde (CID 3460263) is 4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde is Cc1ccc(Cl)c2c(C=O)c(-c3ccccc3Cl)[nH]c12.
What is the InChIKey of 4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde?
The InChIKey is VSCRKKWYQZNAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c1-9-6-7-13(18)14-11(8-20)16(19-15(9)14)10-4-2-3-5-12(10)17/h2-8,19H,1H3.
What are the key properties of 4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde?
4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde has a molecular weight of 304.18 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3460263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).