1-(5-bromo-2-pyridinyl)-6,7-dihydro-5H-indazol-4-one

C12H10BrN3O — CID 65356618

IUPAC1-(5-bromo-2-pyridinyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2c1cnn2-c1ccc(Br)cn1
InChIInChI=1S/C12H10BrN3O/c13-8-4-5-12(14-6-8)16-10-2-1-3-11(17)9(10)7-15-16/h4-7H,1-3H2
InChIKeyHVYUTDJUZDLFAN-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.55
Rot. Bonds1

About 1-(5-bromo-2-pyridinyl)-6,7-dihydro-5H-indazol-4-one

1-(5-bromo-2-pyridinyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 65356618) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID65356618
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name1-(5-bromo-2-pyridinyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2c1cnn2-c1ccc(Br)cn1
InChIInChI=1S/C12H10BrN3O/c13-8-4-5-12(14-6-8)16-10-2-1-3-11(17)9(10)7-15-16/h4-7H,1-3H2
InChIKeyHVYUTDJUZDLFAN-UHFFFAOYSA-N
XLogP2.55
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-6,7-dihydro-5H-indazol-4-one (CID 65356618) is 1-(5-bromo-2-pyridinyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-6,7-dihydro-5H-indazol-4-one is O=C1CCCc2c1cnn2-c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is HVYUTDJUZDLFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-8-4-5-12(14-6-8)16-10-2-1-3-11(17)9(10)7-15-16/h4-7H,1-3H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-6,7-dihydro-5H-indazol-4-one?
1-(5-bromo-2-pyridinyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 292.14 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 65356618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).