2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde

C15H9ClN2O3 — CID 3822875

IUPAC2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H9ClN2O3/c16-10-3-1-9(2-4-10)15-13(8-19)12-7-11(18(20)21)5-6-14(12)17-15/h1-8,17H
InChIKeyRAUACQODXOYYPC-UHFFFAOYSA-N
MW300.70 g/mol
LogP4.21
Rot. Bonds3

About 2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde

2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde (PubChem CID 3822875) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde
PubChem CID3822875
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H9ClN2O3/c16-10-3-1-9(2-4-10)15-13(8-19)12-7-11(18(20)21)5-6-14(12)17-15/h1-8,17H
InChIKeyRAUACQODXOYYPC-UHFFFAOYSA-N
XLogP4.21
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenyl)-5-nitro-1H-indole-3-carbaldehyde
CID 3736320
2-(5-chloro-2-methoxyphenyl)-5-nitro-1H-indole-3-carbaldehyde
CID 3778869
5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde
CID 4209000
2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one
CID 177450866
3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide
CID 3830629
1-chloro-6-nitro-9H-carbazole
CID 163637234
5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
CID 3741706
4,5-bis(4-chlorophenyl)-2-(4-nitrophenyl)-1H-imidazole
CID 2832814
3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole
CID 11653124
2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide
CID 3827821
2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
CID 3777313
2-nitro-10H-acridin-9-one;sulfuryl dichloride
CID 159861980

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde (CID 3822875) is 2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde is O=Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde?
The InChIKey is RAUACQODXOYYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-10-3-1-9(2-4-10)15-13(8-19)12-7-11(18(20)21)5-6-14(12)17-15/h1-8,17H.
What are the key properties of 2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde?
2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde has a molecular weight of 300.70 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3822875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).