4-bromo-6-chloro-1H-indazole-5-carbaldehyde

C8H4BrClN2O — CID 171613711

IUPAC4-bromo-6-chloro-1H-indazole-5-carbaldehyde
SMILESO=Cc1c(Cl)cc2[nH]ncc2c1Br
InChIInChI=1S/C8H4BrClN2O/c9-8-4-2-11-12-7(4)1-6(10)5(8)3-13/h1-3H,(H,11,12)
InChIKeyNMUKRJAMKXZAAL-UHFFFAOYSA-N
MW259.49 g/mol
LogP2.79
Rot. Bonds1

About 4-bromo-6-chloro-1H-indazole-5-carbaldehyde

4-bromo-6-chloro-1H-indazole-5-carbaldehyde (PubChem CID 171613711) has the molecular formula C8H4BrClN2O and a molecular weight of 259.49 g/mol. Its IUPAC name is 4-bromo-6-chloro-1H-indazole-5-carbaldehyde.

Molecular Properties

Compound Name4-bromo-6-chloro-1H-indazole-5-carbaldehyde
PubChem CID171613711
Molecular FormulaC8H4BrClN2O
Molecular Weight259.49 g/mol
Exact Mass257.92
IUPAC Name4-bromo-6-chloro-1H-indazole-5-carbaldehyde
SMILESO=Cc1c(Cl)cc2[nH]ncc2c1Br
InChIInChI=1S/C8H4BrClN2O/c9-8-4-2-11-12-7(4)1-6(10)5(8)3-13/h1-3H,(H,11,12)
InChIKeyNMUKRJAMKXZAAL-UHFFFAOYSA-N
XLogP2.79
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5,6-dichloro-1H-indazole
CID 139345853
4-bromo-5-chloro-1H-pyrazolo[3,4-c]pyridine
CID 142474937
5,6-dichloro-1H-indazol-4-ol
CID 163323751
4-bromo-6-fluoro-5-methyl-1H-indazole
CID 139508183
5,6-dichloro-3H-benzo[e]indazole
CID 54145395
3-bromo-5-chloro-2-fluoropyridine-4-carbaldehyde
CID 131322697
4-chloro-1H-pyrazole-5-carbaldehyde
CID 2761026
4-chloro-1H-indazole-6-carboxylic acid
CID 24728396
4-bromo-6-methyl-1H-benzo[f]indazole
CID 170195977
6,7-dibromo-1H-cinnolin-4-one
CID 165443334
6-chloro-7-methoxy-1H-cinnolin-4-one
CID 157040708
4-butan-2-yl-6-chloro-5-methyl-1H-indazole
CID 177000627

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-1H-indazole-5-carbaldehyde?
The IUPAC name of 4-bromo-6-chloro-1H-indazole-5-carbaldehyde (CID 171613711) is 4-bromo-6-chloro-1H-indazole-5-carbaldehyde.
What is the SMILES notation for 4-bromo-6-chloro-1H-indazole-5-carbaldehyde?
The canonical SMILES for 4-bromo-6-chloro-1H-indazole-5-carbaldehyde is O=Cc1c(Cl)cc2[nH]ncc2c1Br.
What is the InChIKey of 4-bromo-6-chloro-1H-indazole-5-carbaldehyde?
The InChIKey is NMUKRJAMKXZAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2O/c9-8-4-2-11-12-7(4)1-6(10)5(8)3-13/h1-3H,(H,11,12).
What are the key properties of 4-bromo-6-chloro-1H-indazole-5-carbaldehyde?
4-bromo-6-chloro-1H-indazole-5-carbaldehyde has a molecular weight of 259.49 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-1H-indazole-5-carbaldehyde is sourced from PubChem (CID 171613711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).