2-(5,6-dibromo-2H-indazol-3-yl)acetonitrile

C9H5Br2N3 — CID 167530327

IUPAC2-(5,6-dibromo-2H-indazol-3-yl)acetonitrile
SMILESN#CCc1[nH]nc2cc(Br)c(Br)cc12
InChIInChI=1S/C9H5Br2N3/c10-6-3-5-8(1-2-12)13-14-9(5)4-7(6)11/h3-4H,1H2,(H,13,14)
InChIKeyLIFGJTPUCFFUJO-UHFFFAOYSA-N
MW314.97 g/mol
LogP3.15
Rot. Bonds1

About 2-(5,6-dibromo-2H-indazol-3-yl)acetonitrile

2-(5,6-dibromo-2H-indazol-3-yl)acetonitrile (PubChem CID 167530327) has the molecular formula C9H5Br2N3 and a molecular weight of 314.97 g/mol. Its IUPAC name is 2-(5,6-dibromo-2H-indazol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(5,6-dibromo-2H-indazol-3-yl)acetonitrile
PubChem CID167530327
Molecular FormulaC9H5Br2N3
Molecular Weight314.97 g/mol
Exact Mass312.89
IUPAC Name2-(5,6-dibromo-2H-indazol-3-yl)acetonitrile
SMILESN#CCc1[nH]nc2cc(Br)c(Br)cc12
InChIInChI=1S/C9H5Br2N3/c10-6-3-5-8(1-2-12)13-14-9(5)4-7(6)11/h3-4H,1H2,(H,13,14)
InChIKeyLIFGJTPUCFFUJO-UHFFFAOYSA-N
XLogP3.15
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.97
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dibromo-2H-indazol-3-yl)acetonitrile?
The IUPAC name of 2-(5,6-dibromo-2H-indazol-3-yl)acetonitrile (CID 167530327) is 2-(5,6-dibromo-2H-indazol-3-yl)acetonitrile.
What is the SMILES notation for 2-(5,6-dibromo-2H-indazol-3-yl)acetonitrile?
The canonical SMILES for 2-(5,6-dibromo-2H-indazol-3-yl)acetonitrile is N#CCc1[nH]nc2cc(Br)c(Br)cc12.
What is the InChIKey of 2-(5,6-dibromo-2H-indazol-3-yl)acetonitrile?
The InChIKey is LIFGJTPUCFFUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2N3/c10-6-3-5-8(1-2-12)13-14-9(5)4-7(6)11/h3-4H,1H2,(H,13,14).
What are the key properties of 2-(5,6-dibromo-2H-indazol-3-yl)acetonitrile?
2-(5,6-dibromo-2H-indazol-3-yl)acetonitrile has a molecular weight of 314.97 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dibromo-2H-indazol-3-yl)acetonitrile is sourced from PubChem (CID 167530327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).