(4-fluoro-1H-indazol-5-yl) hydrogen carbonate

C8H5FN2O3 — CID 67312196

IUPAC(4-fluoro-1H-indazol-5-yl) hydrogen carbonate
SMILESO=C(O)Oc1ccc2[nH]ncc2c1F
InChIInChI=1S/C8H5FN2O3/c9-7-4-3-10-11-5(4)1-2-6(7)14-8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeyYSXVBHCVCBGKLS-UHFFFAOYSA-N
MW196.14 g/mol
LogP1.76
Rot. Bonds1

About (4-fluoro-1H-indazol-5-yl) hydrogen carbonate

(4-fluoro-1H-indazol-5-yl) hydrogen carbonate (PubChem CID 67312196) has the molecular formula C8H5FN2O3 and a molecular weight of 196.14 g/mol. Its IUPAC name is (4-fluoro-1H-indazol-5-yl) hydrogen carbonate.

Molecular Properties

Compound Name(4-fluoro-1H-indazol-5-yl) hydrogen carbonate
PubChem CID67312196
Molecular FormulaC8H5FN2O3
Molecular Weight196.14 g/mol
Exact Mass196.03
IUPAC Name(4-fluoro-1H-indazol-5-yl) hydrogen carbonate
SMILESO=C(O)Oc1ccc2[nH]ncc2c1F
InChIInChI=1S/C8H5FN2O3/c9-7-4-3-10-11-5(4)1-2-6(7)14-8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeyYSXVBHCVCBGKLS-UHFFFAOYSA-N
XLogP1.76
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1H-indazol-5-yl) hydrogen carbonate?
The IUPAC name of (4-fluoro-1H-indazol-5-yl) hydrogen carbonate (CID 67312196) is (4-fluoro-1H-indazol-5-yl) hydrogen carbonate.
What is the SMILES notation for (4-fluoro-1H-indazol-5-yl) hydrogen carbonate?
The canonical SMILES for (4-fluoro-1H-indazol-5-yl) hydrogen carbonate is O=C(O)Oc1ccc2[nH]ncc2c1F.
What is the InChIKey of (4-fluoro-1H-indazol-5-yl) hydrogen carbonate?
The InChIKey is YSXVBHCVCBGKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O3/c9-7-4-3-10-11-5(4)1-2-6(7)14-8(12)13/h1-3H,(H,10,11)(H,12,13).
What are the key properties of (4-fluoro-1H-indazol-5-yl) hydrogen carbonate?
(4-fluoro-1H-indazol-5-yl) hydrogen carbonate has a molecular weight of 196.14 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1H-indazol-5-yl) hydrogen carbonate is sourced from PubChem (CID 67312196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).