7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde

C24H17BrCl2N4O2 — CID 157157508

IUPAC7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde
SMILESCn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1C=O.Cn1nc2c(Br)cccc2c1C=O
InChIInChI=1S/C15H10Cl2N2O.C9H7BrN2O/c1-19-14(8-20)12-4-2-3-11(15(12)18-19)10-6-5-9(16)7-13(10)17;1-12-8(5-13)6-3-2-4-7(10)9(6)11-12/h2-8H,1H3;2-5H,1H3
InChIKeyALZIAYQTZOADGI-UHFFFAOYSA-N
MW544.24 g/mol
LogP6.51
Rot. Bonds3

About 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde

7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde (PubChem CID 157157508) has the molecular formula C24H17BrCl2N4O2 and a molecular weight of 544.24 g/mol. Its IUPAC name is 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde.

Molecular Properties

Compound Name7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde
PubChem CID157157508
Molecular FormulaC24H17BrCl2N4O2
Molecular Weight544.24 g/mol
Exact Mass541.99
IUPAC Name7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde
SMILESCn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1C=O.Cn1nc2c(Br)cccc2c1C=O
InChIInChI=1S/C15H10Cl2N2O.C9H7BrN2O/c1-19-14(8-20)12-4-2-3-11(15(12)18-19)10-6-5-9(16)7-13(10)17;1-12-8(5-13)6-3-2-4-7(10)9(6)11-12/h2-8H,1H3;2-5H,1H3
InChIKeyALZIAYQTZOADGI-UHFFFAOYSA-N
XLogP6.51
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.24
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole
CID 59702308
7-(2,4-dichlorophenyl)-2-methylindazole-3-carbonitrile
CID 59702374
1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]pyrrole-2,5-diol
CID 91469465
[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]urea
CID 68615025
2-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-1,3,4-oxadiazole
CID 58988236
[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl] methyl carbonate
CID 68614157
1-[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-N-[(Z)-prop-1-enyl]propan-2-imine
CID 89129673
7-(2,4-dichlorophenyl)-2-methyl-N-propylindazol-3-amine;hydrochloride
CID 172740552
[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone
CID 58988229
CID 160854409
CID 160854409
4-[[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]methyl]morpholine
CID 21094603
7-bromo-3-chloro-2-methylindazole
CID 68614934

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde?
The IUPAC name of 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde (CID 157157508) is 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde.
What is the SMILES notation for 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde?
The canonical SMILES for 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde is Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1C=O.Cn1nc2c(Br)cccc2c1C=O.
What is the InChIKey of 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde?
The InChIKey is ALZIAYQTZOADGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O.C9H7BrN2O/c1-19-14(8-20)12-4-2-3-11(15(12)18-19)10-6-5-9(16)7-13(10)17;1-12-8(5-13)6-3-2-4-7(10)9(6)11-12/h2-8H,1H3;2-5H,1H3.
What are the key properties of 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde?
7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde has a molecular weight of 544.24 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methylindazole-3-carbaldehyde;7-(2,4-dichlorophenyl)-2-methylindazole-3-carbaldehyde is sourced from PubChem (CID 157157508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).