4-chloro-6-fluoro-2H-indazole-3-carbaldehyde

C8H4ClFN2O — CID 24728176

IUPAC4-chloro-6-fluoro-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2cc(F)cc(Cl)c12
InChIInChI=1S/C8H4ClFN2O/c9-5-1-4(10)2-6-8(5)7(3-13)12-11-6/h1-3H,(H,11,12)
InChIKeySSCGILIPWBCSMP-UHFFFAOYSA-N
MW198.58 g/mol
LogP2.17
Rot. Bonds1

About 4-chloro-6-fluoro-2H-indazole-3-carbaldehyde

4-chloro-6-fluoro-2H-indazole-3-carbaldehyde (PubChem CID 24728176) has the molecular formula C8H4ClFN2O and a molecular weight of 198.58 g/mol. Its IUPAC name is 4-chloro-6-fluoro-2H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-fluoro-2H-indazole-3-carbaldehyde
PubChem CID24728176
Molecular FormulaC8H4ClFN2O
Molecular Weight198.58 g/mol
Exact Mass198.00
IUPAC Name4-chloro-6-fluoro-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2cc(F)cc(Cl)c12
InChIInChI=1S/C8H4ClFN2O/c9-5-1-4(10)2-6-8(5)7(3-13)12-11-6/h1-3H,(H,11,12)
InChIKeySSCGILIPWBCSMP-UHFFFAOYSA-N
XLogP2.17
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.58
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-2H-indazole-3-carbaldehyde?
The IUPAC name of 4-chloro-6-fluoro-2H-indazole-3-carbaldehyde (CID 24728176) is 4-chloro-6-fluoro-2H-indazole-3-carbaldehyde.
What is the SMILES notation for 4-chloro-6-fluoro-2H-indazole-3-carbaldehyde?
The canonical SMILES for 4-chloro-6-fluoro-2H-indazole-3-carbaldehyde is O=Cc1[nH]nc2cc(F)cc(Cl)c12.
What is the InChIKey of 4-chloro-6-fluoro-2H-indazole-3-carbaldehyde?
The InChIKey is SSCGILIPWBCSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2O/c9-5-1-4(10)2-6-8(5)7(3-13)12-11-6/h1-3H,(H,11,12).
What are the key properties of 4-chloro-6-fluoro-2H-indazole-3-carbaldehyde?
4-chloro-6-fluoro-2H-indazole-3-carbaldehyde has a molecular weight of 198.58 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-2H-indazole-3-carbaldehyde is sourced from PubChem (CID 24728176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).