3-bromo-1-(6-bromo-2H-indazol-3-yl)propane-1,2-diol

C10H10Br2N2O2 — CID 171861112

IUPAC3-bromo-1-(6-bromo-2H-indazol-3-yl)propane-1,2-diol
SMILESOC(CBr)C(O)c1[nH]nc2cc(Br)ccc12
InChIInChI=1S/C10H10Br2N2O2/c11-4-8(15)10(16)9-6-2-1-5(12)3-7(6)13-14-9/h1-3,8,10,15-16H,4H2,(H,13,14)
InChIKeyMICRQZKOZABQSD-UHFFFAOYSA-N
MW350.01 g/mol
LogP2.11
Rot. Bonds3

About 3-bromo-1-(6-bromo-2H-indazol-3-yl)propane-1,2-diol

3-bromo-1-(6-bromo-2H-indazol-3-yl)propane-1,2-diol (PubChem CID 171861112) has the molecular formula C10H10Br2N2O2 and a molecular weight of 350.01 g/mol. Its IUPAC name is 3-bromo-1-(6-bromo-2H-indazol-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-bromo-1-(6-bromo-2H-indazol-3-yl)propane-1,2-diol
PubChem CID171861112
Molecular FormulaC10H10Br2N2O2
Molecular Weight350.01 g/mol
Exact Mass347.91
IUPAC Name3-bromo-1-(6-bromo-2H-indazol-3-yl)propane-1,2-diol
SMILESOC(CBr)C(O)c1[nH]nc2cc(Br)ccc12
InChIInChI=1S/C10H10Br2N2O2/c11-4-8(15)10(16)9-6-2-1-5(12)3-7(6)13-14-9/h1-3,8,10,15-16H,4H2,(H,13,14)
InChIKeyMICRQZKOZABQSD-UHFFFAOYSA-N
XLogP2.11
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.01
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-bromo-2H-indazol-3-yl)-4-(methylamino)butane-1,2-diol
CID 171891347
N-[3-(6-bromo-2H-indazol-3-yl)-2,3-dihydroxypropyl]acetamide
CID 170831188
1-(2H-indazol-3-yl)-3-sulfanylpropane-1,2-diol
CID 170820036
5-bromo-3-(fluoromethyl)-2H-indazole
CID 84692330
3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol
CID 171861041
3,4-dihydroxy-4-(2H-indazol-3-yl)butanenitrile
CID 171901126
5-bromo-3-iodo-2H-indazole
CID 23156224
2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid
CID 83913593
4-(methylamino)-1-(6-nitro-2H-indazol-3-yl)butane-1,2-diol
CID 171891378
1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine
CID 83913468
5-bromo-3-fluoro-2H-indazole
CID 66793399
6-bromo-3-piperidin-4-yl-2H-indazole
CID 14032607

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(6-bromo-2H-indazol-3-yl)propane-1,2-diol?
The IUPAC name of 3-bromo-1-(6-bromo-2H-indazol-3-yl)propane-1,2-diol (CID 171861112) is 3-bromo-1-(6-bromo-2H-indazol-3-yl)propane-1,2-diol.
What is the SMILES notation for 3-bromo-1-(6-bromo-2H-indazol-3-yl)propane-1,2-diol?
The canonical SMILES for 3-bromo-1-(6-bromo-2H-indazol-3-yl)propane-1,2-diol is OC(CBr)C(O)c1[nH]nc2cc(Br)ccc12.
What is the InChIKey of 3-bromo-1-(6-bromo-2H-indazol-3-yl)propane-1,2-diol?
The InChIKey is MICRQZKOZABQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2O2/c11-4-8(15)10(16)9-6-2-1-5(12)3-7(6)13-14-9/h1-3,8,10,15-16H,4H2,(H,13,14).
What are the key properties of 3-bromo-1-(6-bromo-2H-indazol-3-yl)propane-1,2-diol?
3-bromo-1-(6-bromo-2H-indazol-3-yl)propane-1,2-diol has a molecular weight of 350.01 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(6-bromo-2H-indazol-3-yl)propane-1,2-diol is sourced from PubChem (CID 171861112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).