4-fluoro-1H-indazole

C7H5FN2 — CID 22477757

IUPAC4-fluoro-1H-indazole
SMILESFc1cccc2[nH]ncc12
InChIInChI=1S/C7H5FN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
InChIKeyYTNDJUBXSVSRQK-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.70
Rot. Bonds

About 4-fluoro-1H-indazole

4-fluoro-1H-indazole (PubChem CID 22477757) has the molecular formula C7H5FN2 and a molecular weight of 136.13 g/mol. Its IUPAC name is 4-fluoro-1H-indazole.

Molecular Properties

Compound Name4-fluoro-1H-indazole
PubChem CID22477757
Molecular FormulaC7H5FN2
Molecular Weight136.13 g/mol
Exact Mass136.04
IUPAC Name4-fluoro-1H-indazole
SMILESFc1cccc2[nH]ncc12
InChIInChI=1S/C7H5FN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
InChIKeyYTNDJUBXSVSRQK-UHFFFAOYSA-N
XLogP1.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1H-indazole?
The IUPAC name of 4-fluoro-1H-indazole (CID 22477757) is 4-fluoro-1H-indazole.
What is the SMILES notation for 4-fluoro-1H-indazole?
The canonical SMILES for 4-fluoro-1H-indazole is Fc1cccc2[nH]ncc12.
What is the InChIKey of 4-fluoro-1H-indazole?
The InChIKey is YTNDJUBXSVSRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10).
What are the key properties of 4-fluoro-1H-indazole?
4-fluoro-1H-indazole has a molecular weight of 136.13 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1H-indazole is sourced from PubChem (CID 22477757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).