2-[(1S)-1,2-dibromoethyl]indazole

C9H8Br2N2 — CID 1271665

IUPAC2-[(1S)-1,2-dibromoethyl]indazole
SMILESBrC[C@H](Br)n1cc2ccccc2n1
InChIInChI=1S/C9H8Br2N2/c10-5-9(11)13-6-7-3-1-2-4-8(7)12-13/h1-4,6,9H,5H2/t9-/m1/s1
InChIKeyODKDISPKDSDRJC-SECBINFHSA-N
MW303.99 g/mol
LogP3.32
Rot. Bonds2

About 2-[(1S)-1,2-dibromoethyl]indazole

2-[(1S)-1,2-dibromoethyl]indazole (PubChem CID 1271665) has the molecular formula C9H8Br2N2 and a molecular weight of 303.99 g/mol. Its IUPAC name is 2-[(1S)-1,2-dibromoethyl]indazole.

Molecular Properties

Compound Name2-[(1S)-1,2-dibromoethyl]indazole
PubChem CID1271665
Molecular FormulaC9H8Br2N2
Molecular Weight303.99 g/mol
Exact Mass301.91
IUPAC Name2-[(1S)-1,2-dibromoethyl]indazole
SMILESBrC[C@H](Br)n1cc2ccccc2n1
InChIInChI=1S/C9H8Br2N2/c10-5-9(11)13-6-7-3-1-2-4-8(7)12-13/h1-4,6,9H,5H2/t9-/m1/s1
InChIKeyODKDISPKDSDRJC-SECBINFHSA-N
XLogP3.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.99
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methylpropane;2-propan-2-ylindazole
CID 159582971
2-indazol-2-yl-3-methylbutanoic acid
CID 50986535
ethane;indazole-2-carboxylic acid
CID 91117205
2-benzylindazole
CID 5045916
1-(indazol-2-ylmethyl)cyclopropan-1-amine
CID 84770454
2-tert-butylindazole
CID 55250777
2-(trifluoromethyl)indazole
CID 69369964
2-piperidin-1-ylindazole
CID 154361634
2-[(4-fluorophenyl)methyl]indazole
CID 66772041
2-[(3-bromo-2-methylphenyl)methyl]indazole
CID 59375084
2-pyridin-2-ylindazole
CID 58814039
2-[[(E)-2-bromoethenoxy]methyl]-1-(1,2-dibromoethyl)benzimidazole
CID 12530744

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1,2-dibromoethyl]indazole?
The IUPAC name of 2-[(1S)-1,2-dibromoethyl]indazole (CID 1271665) is 2-[(1S)-1,2-dibromoethyl]indazole.
What is the SMILES notation for 2-[(1S)-1,2-dibromoethyl]indazole?
The canonical SMILES for 2-[(1S)-1,2-dibromoethyl]indazole is BrC[C@H](Br)n1cc2ccccc2n1.
What is the InChIKey of 2-[(1S)-1,2-dibromoethyl]indazole?
The InChIKey is ODKDISPKDSDRJC-SECBINFHSA-N. The full InChI is InChI=1S/C9H8Br2N2/c10-5-9(11)13-6-7-3-1-2-4-8(7)12-13/h1-4,6,9H,5H2/t9-/m1/s1.
What are the key properties of 2-[(1S)-1,2-dibromoethyl]indazole?
2-[(1S)-1,2-dibromoethyl]indazole has a molecular weight of 303.99 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1,2-dibromoethyl]indazole is sourced from PubChem (CID 1271665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).