5,6-dibromo-2-methylindazole-3-carbonitrile;ethane

C11H11Br2N3 — CID 170759913

IUPAC5,6-dibromo-2-methylindazole-3-carbonitrile;ethane
SMILESCC.Cn1nc2cc(Br)c(Br)cc2c1C#N
InChIInChI=1S/C9H5Br2N3.C2H6/c1-14-9(4-12)5-2-6(10)7(11)3-8(5)13-14;1-2/h2-3H,1H3;1-2H3
InChIKeyWYNYVBRROCRYIY-UHFFFAOYSA-N
MW345.04 g/mol
LogP4.00
Rot. Bonds

About 5,6-dibromo-2-methylindazole-3-carbonitrile;ethane

5,6-dibromo-2-methylindazole-3-carbonitrile;ethane (PubChem CID 170759913) has the molecular formula C11H11Br2N3 and a molecular weight of 345.04 g/mol. Its IUPAC name is 5,6-dibromo-2-methylindazole-3-carbonitrile;ethane.

Molecular Properties

Compound Name5,6-dibromo-2-methylindazole-3-carbonitrile;ethane
PubChem CID170759913
Molecular FormulaC11H11Br2N3
Molecular Weight345.04 g/mol
Exact Mass342.93
IUPAC Name5,6-dibromo-2-methylindazole-3-carbonitrile;ethane
SMILESCC.Cn1nc2cc(Br)c(Br)cc2c1C#N
InChIInChI=1S/C9H5Br2N3.C2H6/c1-14-9(4-12)5-2-6(10)7(11)3-8(5)13-14;1-2/h2-3H,1H3;1-2H3
InChIKeyWYNYVBRROCRYIY-UHFFFAOYSA-N
XLogP4.00
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.04
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-2-methylindazole-3-carbonitrile;ethane?
The IUPAC name of 5,6-dibromo-2-methylindazole-3-carbonitrile;ethane (CID 170759913) is 5,6-dibromo-2-methylindazole-3-carbonitrile;ethane.
What is the SMILES notation for 5,6-dibromo-2-methylindazole-3-carbonitrile;ethane?
The canonical SMILES for 5,6-dibromo-2-methylindazole-3-carbonitrile;ethane is CC.Cn1nc2cc(Br)c(Br)cc2c1C#N.
What is the InChIKey of 5,6-dibromo-2-methylindazole-3-carbonitrile;ethane?
The InChIKey is WYNYVBRROCRYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2N3.C2H6/c1-14-9(4-12)5-2-6(10)7(11)3-8(5)13-14;1-2/h2-3H,1H3;1-2H3.
What are the key properties of 5,6-dibromo-2-methylindazole-3-carbonitrile;ethane?
5,6-dibromo-2-methylindazole-3-carbonitrile;ethane has a molecular weight of 345.04 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-2-methylindazole-3-carbonitrile;ethane is sourced from PubChem (CID 170759913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).