2-(6-fluoroindazol-1-yl)acetaldehyde

C9H7FN2O — CID 83827825

IUPAC2-(6-fluoroindazol-1-yl)acetaldehyde
SMILESO=CCn1ncc2ccc(F)cc21
InChIInChI=1S/C9H7FN2O/c10-8-2-1-7-6-11-12(3-4-13)9(7)5-8/h1-2,4-6H,3H2
InChIKeyHKVAJHYURALOCU-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.37
Rot. Bonds2

About 2-(6-fluoroindazol-1-yl)acetaldehyde

2-(6-fluoroindazol-1-yl)acetaldehyde (PubChem CID 83827825) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 2-(6-fluoroindazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-fluoroindazol-1-yl)acetaldehyde
PubChem CID83827825
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name2-(6-fluoroindazol-1-yl)acetaldehyde
SMILESO=CCn1ncc2ccc(F)cc21
InChIInChI=1S/C9H7FN2O/c10-8-2-1-7-6-11-12(3-4-13)9(7)5-8/h1-2,4-6H,3H2
InChIKeyHKVAJHYURALOCU-UHFFFAOYSA-N
XLogP1.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(2,4-difluorophenoxy)pyrazolo[4,3-c]pyridin-1-yl]acetaldehyde
CID 87717358
1-benzyl-6-fluoroindazole
CID 83414179
2-(6-fluoroindol-1-yl)acetaldehyde
CID 62025779
1-(azetidin-3-ylmethyl)-6-fluoroindazole
CID 141365019
6-fluoroindazol-1-amine
CID 83413973
1-[(3-chlorophenyl)methyl]-6-fluoroindazole
CID 141202076
1-(6-fluoroindazol-1-yl)-3-methoxypropan-2-amine
CID 119088227
6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole
CID 86203454
6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]indazole
CID 174227473
(2R)-2-[(6-fluoroindazol-1-yl)methyl]pyrrolidine-1-carboxylic acid
CID 174215674
1-[(2,4-difluorophenyl)methyl]indazol-6-amine
CID 62197807
6-fluoro-N,N-dimethylindazol-1-amine
CID 175715573

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroindazol-1-yl)acetaldehyde?
The IUPAC name of 2-(6-fluoroindazol-1-yl)acetaldehyde (CID 83827825) is 2-(6-fluoroindazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(6-fluoroindazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(6-fluoroindazol-1-yl)acetaldehyde is O=CCn1ncc2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoroindazol-1-yl)acetaldehyde?
The InChIKey is HKVAJHYURALOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c10-8-2-1-7-6-11-12(3-4-13)9(7)5-8/h1-2,4-6H,3H2.
What are the key properties of 2-(6-fluoroindazol-1-yl)acetaldehyde?
2-(6-fluoroindazol-1-yl)acetaldehyde has a molecular weight of 178.17 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroindazol-1-yl)acetaldehyde is sourced from PubChem (CID 83827825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).