4-pyridin-3-ylindazol-3-one

C12H7N3O — CID 21262684

IUPAC4-pyridin-3-ylindazol-3-one
SMILESO=C1N=Nc2cccc(-c3cccnc3)c21
InChIInChI=1S/C12H7N3O/c16-12-11-9(8-3-2-6-13-7-8)4-1-5-10(11)14-15-12/h1-7H
InChIKeyFXWSBMYLANIKOF-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.99
Rot. Bonds1

About 4-pyridin-3-ylindazol-3-one

4-pyridin-3-ylindazol-3-one (PubChem CID 21262684) has the molecular formula C12H7N3O and a molecular weight of 209.21 g/mol. Its IUPAC name is 4-pyridin-3-ylindazol-3-one.

Molecular Properties

Compound Name4-pyridin-3-ylindazol-3-one
PubChem CID21262684
Molecular FormulaC12H7N3O
Molecular Weight209.21 g/mol
Exact Mass209.06
IUPAC Name4-pyridin-3-ylindazol-3-one
SMILESO=C1N=Nc2cccc(-c3cccnc3)c21
InChIInChI=1S/C12H7N3O/c16-12-11-9(8-3-2-6-13-7-8)4-1-5-10(11)14-15-12/h1-7H
InChIKeyFXWSBMYLANIKOF-UHFFFAOYSA-N
XLogP2.99
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
2-(2,3-dipyridin-3-ylphenyl)pyrimidine
CID 155147511
cyclopenta[c]azepine
CID 638010
(2,6-dipyridin-3-ylphenyl)methanol
CID 46316451
2-iodo-3-pyridin-3-ylpyridine
CID 134338193
4-hydroxy-3-phenyl-2-pyridin-3-ylinden-1-one
CID 141285985
3-azulen-6-ylpyridine
CID 86232079
3-(2-methyl-3-phenylphenyl)pyridine
CID 91046767
3-(2-methoxy-3-pyridin-3-ylphenyl)pyridine
CID 46316374
bis(2-pyridin-3-ylphenyl)methanone
CID 70483268
2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid
CID 68921390
2,6-dipyridin-3-ylpyridine
CID 13349632

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-ylindazol-3-one?
The IUPAC name of 4-pyridin-3-ylindazol-3-one (CID 21262684) is 4-pyridin-3-ylindazol-3-one.
What is the SMILES notation for 4-pyridin-3-ylindazol-3-one?
The canonical SMILES for 4-pyridin-3-ylindazol-3-one is O=C1N=Nc2cccc(-c3cccnc3)c21.
What is the InChIKey of 4-pyridin-3-ylindazol-3-one?
The InChIKey is FXWSBMYLANIKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O/c16-12-11-9(8-3-2-6-13-7-8)4-1-5-10(11)14-15-12/h1-7H.
What are the key properties of 4-pyridin-3-ylindazol-3-one?
4-pyridin-3-ylindazol-3-one has a molecular weight of 209.21 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-ylindazol-3-one is sourced from PubChem (CID 21262684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).