1-fluoroindazole-3-carboxamide

C8H6FN3O — CID 68893080

IUPAC1-fluoroindazole-3-carboxamide
SMILESNC(=O)c1nn(F)c2ccccc12
InChIInChI=1S/C8H6FN3O/c9-12-6-4-2-1-3-5(6)7(11-12)8(10)13/h1-4H,(H2,10,13)
InChIKeyVAQQNZUOTWSJEM-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.87
Rot. Bonds1

About 1-fluoroindazole-3-carboxamide

1-fluoroindazole-3-carboxamide (PubChem CID 68893080) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 1-fluoroindazole-3-carboxamide.

Molecular Properties

Compound Name1-fluoroindazole-3-carboxamide
PubChem CID68893080
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name1-fluoroindazole-3-carboxamide
SMILESNC(=O)c1nn(F)c2ccccc12
InChIInChI=1S/C8H6FN3O/c9-12-6-4-2-1-3-5(6)7(11-12)8(10)13/h1-4H,(H2,10,13)
InChIKeyVAQQNZUOTWSJEM-UHFFFAOYSA-N
XLogP0.87
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroindazole-3-carboxamide?
The IUPAC name of 1-fluoroindazole-3-carboxamide (CID 68893080) is 1-fluoroindazole-3-carboxamide.
What is the SMILES notation for 1-fluoroindazole-3-carboxamide?
The canonical SMILES for 1-fluoroindazole-3-carboxamide is NC(=O)c1nn(F)c2ccccc12.
What is the InChIKey of 1-fluoroindazole-3-carboxamide?
The InChIKey is VAQQNZUOTWSJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-12-6-4-2-1-3-5(6)7(11-12)8(10)13/h1-4H,(H2,10,13).
What are the key properties of 1-fluoroindazole-3-carboxamide?
1-fluoroindazole-3-carboxamide has a molecular weight of 179.15 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroindazole-3-carboxamide is sourced from PubChem (CID 68893080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).