(3R)-3-bromo-3H-indazole

C7H5BrN2 — CID 97301180

IUPAC(3R)-3-bromo-3H-indazole
SMILESBr[C@H]1N=Nc2ccccc21
InChIInChI=1S/C7H5BrN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4,7H/t7-/m0/s1
InChIKeyWVKSBABKQYALGB-ZETCQYMHSA-N
MW197.04 g/mol
LogP3.18
Rot. Bonds

About (3R)-3-bromo-3H-indazole

(3R)-3-bromo-3H-indazole (PubChem CID 97301180) has the molecular formula C7H5BrN2 and a molecular weight of 197.04 g/mol. Its IUPAC name is (3R)-3-bromo-3H-indazole.

Molecular Properties

Compound Name(3R)-3-bromo-3H-indazole
PubChem CID97301180
Molecular FormulaC7H5BrN2
Molecular Weight197.04 g/mol
Exact Mass195.96
IUPAC Name(3R)-3-bromo-3H-indazole
SMILESBr[C@H]1N=Nc2ccccc21
InChIInChI=1S/C7H5BrN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4,7H/t7-/m0/s1
InChIKeyWVKSBABKQYALGB-ZETCQYMHSA-N
XLogP3.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.04
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-bromo-3H-indazole
CID 53412030
3-nitro-3H-indazole
CID 173392250
(3S)-3-methyl-3H-indole
CID 90192707
2-[(3R)-3H-indazol-3-yl]acetic acid
CID 95969944
methyl N-(3H-indazol-3-yl)carbamate
CID 139933956
(1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 11231966
8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene
CID 11135759
3-bromo-6-methyl-3H-pyrazolo[3,4-b]pyridine
CID 71367752
3,4-dimethyl-3,4-dihydro-2H-quinolin-2-ide;rutherfordium
CID 134949989
3H-indazol-3-yl(naphthalen-1-yl)methanone
CID 170857545
(1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene
CID 45356914
(1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol
CID 12740385

Frequently Asked Questions

What is the IUPAC name of (3R)-3-bromo-3H-indazole?
The IUPAC name of (3R)-3-bromo-3H-indazole (CID 97301180) is (3R)-3-bromo-3H-indazole.
What is the SMILES notation for (3R)-3-bromo-3H-indazole?
The canonical SMILES for (3R)-3-bromo-3H-indazole is Br[C@H]1N=Nc2ccccc21.
What is the InChIKey of (3R)-3-bromo-3H-indazole?
The InChIKey is WVKSBABKQYALGB-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H5BrN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4,7H/t7-/m0/s1.
What are the key properties of (3R)-3-bromo-3H-indazole?
(3R)-3-bromo-3H-indazole has a molecular weight of 197.04 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-bromo-3H-indazole is sourced from PubChem (CID 97301180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).