4-(3-chlorophenyl)-1H-indole-2-carbaldehyde

C15H10ClNO — CID 140750060

IUPAC4-(3-chlorophenyl)-1H-indole-2-carbaldehyde
SMILESO=Cc1cc2c(-c3cccc(Cl)c3)cccc2[nH]1
InChIInChI=1S/C15H10ClNO/c16-11-4-1-3-10(7-11)13-5-2-6-15-14(13)8-12(9-18)17-15/h1-9,17H
InChIKeyMCDHQDUYEYUHAV-UHFFFAOYSA-N
MW255.70 g/mol
LogP4.30
Rot. Bonds2

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

4-(3-chlorophenyl)-1H-indole-2-carbaldehyde (PubChem CID 140750060) has the molecular formula C15H10ClNO and a molecular weight of 255.70 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1H-indole-2-carbaldehyde
PubChem CID140750060
Molecular FormulaC15H10ClNO
Molecular Weight255.70 g/mol
Exact Mass255.05
IUPAC Name4-(3-chlorophenyl)-1H-indole-2-carbaldehyde
SMILESO=Cc1cc2c(-c3cccc(Cl)c3)cccc2[nH]1
InChIInChI=1S/C15H10ClNO/c16-11-4-1-3-10(7-11)13-5-2-6-15-14(13)8-12(9-18)17-15/h1-9,17H
InChIKeyMCDHQDUYEYUHAV-UHFFFAOYSA-N
XLogP4.30
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 54.30
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-(3-chlorophenyl)-6-fluorobenzaldehyde
CID 172993863
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
2-chloro-1,3-bis(3-chlorophenyl)benzene
CID 54080795
2-(3-chlorophenyl)-4,5-difluorobenzaldehyde
CID 172909463
3-(3-chlorophenyl)-1H-quinolin-2-one
CID 152763617
6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one
CID 22279011
3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135957060
5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3730627
bis(9H-carbazole);1-chloro-3-phenylbenzene;1,3,5-triazine
CID 160708594
2-(3-chlorophenyl)benzenesulfinamide
CID 155244785
2-(3-chlorophenyl)-4,6-difluoro-1H-indole-3-carbaldehyde
CID 87406062
2-(3-chlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde
CID 3328264

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1H-indole-2-carbaldehyde?
The IUPAC name of 4-(3-chlorophenyl)-1H-indole-2-carbaldehyde (CID 140750060) is 4-(3-chlorophenyl)-1H-indole-2-carbaldehyde.
What is the SMILES notation for 4-(3-chlorophenyl)-1H-indole-2-carbaldehyde?
The canonical SMILES for 4-(3-chlorophenyl)-1H-indole-2-carbaldehyde is O=Cc1cc2c(-c3cccc(Cl)c3)cccc2[nH]1.
What is the InChIKey of 4-(3-chlorophenyl)-1H-indole-2-carbaldehyde?
The InChIKey is MCDHQDUYEYUHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO/c16-11-4-1-3-10(7-11)13-5-2-6-15-14(13)8-12(9-18)17-15/h1-9,17H.
What are the key properties of 4-(3-chlorophenyl)-1H-indole-2-carbaldehyde?
4-(3-chlorophenyl)-1H-indole-2-carbaldehyde has a molecular weight of 255.70 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1H-indole-2-carbaldehyde is sourced from PubChem (CID 140750060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).