4-bromo-2,3-dihydro-1H-indazole

C7H7BrN2 — CID 59592977

IUPAC4-bromo-2,3-dihydro-1H-indazole
SMILESBrc1cccc2c1CNN2
InChIInChI=1S/C7H7BrN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-3,9-10H,4H2
InChIKeyWBBCJZGLQRPMCK-UHFFFAOYSA-N
MW199.05 g/mol
LogP1.88
Rot. Bonds

About 4-bromo-2,3-dihydro-1H-indazole

4-bromo-2,3-dihydro-1H-indazole (PubChem CID 59592977) has the molecular formula C7H7BrN2 and a molecular weight of 199.05 g/mol. Its IUPAC name is 4-bromo-2,3-dihydro-1H-indazole.

Molecular Properties

Compound Name4-bromo-2,3-dihydro-1H-indazole
PubChem CID59592977
Molecular FormulaC7H7BrN2
Molecular Weight199.05 g/mol
Exact Mass197.98
IUPAC Name4-bromo-2,3-dihydro-1H-indazole
SMILESBrc1cccc2c1CNN2
InChIInChI=1S/C7H7BrN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-3,9-10H,4H2
InChIKeyWBBCJZGLQRPMCK-UHFFFAOYSA-N
XLogP1.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.05
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dihydro-1H-indazole?
The IUPAC name of 4-bromo-2,3-dihydro-1H-indazole (CID 59592977) is 4-bromo-2,3-dihydro-1H-indazole.
What is the SMILES notation for 4-bromo-2,3-dihydro-1H-indazole?
The canonical SMILES for 4-bromo-2,3-dihydro-1H-indazole is Brc1cccc2c1CNN2.
What is the InChIKey of 4-bromo-2,3-dihydro-1H-indazole?
The InChIKey is WBBCJZGLQRPMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-3,9-10H,4H2.
What are the key properties of 4-bromo-2,3-dihydro-1H-indazole?
4-bromo-2,3-dihydro-1H-indazole has a molecular weight of 199.05 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dihydro-1H-indazole is sourced from PubChem (CID 59592977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).