2-(1H-indazol-3-yl)chromen-4-one

C16H10N2O2 — CID 54413098

IUPAC2-(1H-indazol-3-yl)chromen-4-one
SMILESO=c1cc(-c2n[nH]c3ccccc23)oc2ccccc12
InChIInChI=1S/C16H10N2O2/c19-13-9-15(20-14-8-4-2-6-11(13)14)16-10-5-1-3-7-12(10)17-18-16/h1-9H,(H,17,18)
InChIKeyVVNGBSZWCIMXAE-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.34
Rot. Bonds1

About 2-(1H-indazol-3-yl)chromen-4-one

2-(1H-indazol-3-yl)chromen-4-one (PubChem CID 54413098) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-(1H-indazol-3-yl)chromen-4-one.

Molecular Properties

Compound Name2-(1H-indazol-3-yl)chromen-4-one
PubChem CID54413098
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name2-(1H-indazol-3-yl)chromen-4-one
SMILESO=c1cc(-c2n[nH]c3ccccc23)oc2ccccc12
InChIInChI=1S/C16H10N2O2/c19-13-9-15(20-14-8-4-2-6-11(13)14)16-10-5-1-3-7-12(10)17-18-16/h1-9H,(H,17,18)
InChIKeyVVNGBSZWCIMXAE-UHFFFAOYSA-N
XLogP3.34
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-3-yl)chromen-4-one?
The IUPAC name of 2-(1H-indazol-3-yl)chromen-4-one (CID 54413098) is 2-(1H-indazol-3-yl)chromen-4-one.
What is the SMILES notation for 2-(1H-indazol-3-yl)chromen-4-one?
The canonical SMILES for 2-(1H-indazol-3-yl)chromen-4-one is O=c1cc(-c2n[nH]c3ccccc23)oc2ccccc12.
What is the InChIKey of 2-(1H-indazol-3-yl)chromen-4-one?
The InChIKey is VVNGBSZWCIMXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c19-13-9-15(20-14-8-4-2-6-11(13)14)16-10-5-1-3-7-12(10)17-18-16/h1-9H,(H,17,18).
What are the key properties of 2-(1H-indazol-3-yl)chromen-4-one?
2-(1H-indazol-3-yl)chromen-4-one has a molecular weight of 262.27 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-3-yl)chromen-4-one is sourced from PubChem (CID 54413098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).