5-bromo-6-methoxy-2-methylindazole-7-carbonitrile

C10H8BrN3O — CID 168977559

IUPAC5-bromo-6-methoxy-2-methylindazole-7-carbonitrile
SMILESCOc1c(Br)cc2cn(C)nc2c1C#N
InChIInChI=1S/C10H8BrN3O/c1-14-5-6-3-8(11)10(15-2)7(4-12)9(6)13-14/h3,5H,1-2H3
InChIKeyXJUMVMWSWIFNCK-UHFFFAOYSA-N
MW266.10 g/mol
LogP2.22
Rot. Bonds1

About 5-bromo-6-methoxy-2-methylindazole-7-carbonitrile

5-bromo-6-methoxy-2-methylindazole-7-carbonitrile (PubChem CID 168977559) has the molecular formula C10H8BrN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 5-bromo-6-methoxy-2-methylindazole-7-carbonitrile.

Molecular Properties

Compound Name5-bromo-6-methoxy-2-methylindazole-7-carbonitrile
PubChem CID168977559
Molecular FormulaC10H8BrN3O
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name5-bromo-6-methoxy-2-methylindazole-7-carbonitrile
SMILESCOc1c(Br)cc2cn(C)nc2c1C#N
InChIInChI=1S/C10H8BrN3O/c1-14-5-6-3-8(11)10(15-2)7(4-12)9(6)13-14/h3,5H,1-2H3
InChIKeyXJUMVMWSWIFNCK-UHFFFAOYSA-N
XLogP2.22
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxy-2-methylindazole-7-carbonitrile?
The IUPAC name of 5-bromo-6-methoxy-2-methylindazole-7-carbonitrile (CID 168977559) is 5-bromo-6-methoxy-2-methylindazole-7-carbonitrile.
What is the SMILES notation for 5-bromo-6-methoxy-2-methylindazole-7-carbonitrile?
The canonical SMILES for 5-bromo-6-methoxy-2-methylindazole-7-carbonitrile is COc1c(Br)cc2cn(C)nc2c1C#N.
What is the InChIKey of 5-bromo-6-methoxy-2-methylindazole-7-carbonitrile?
The InChIKey is XJUMVMWSWIFNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O/c1-14-5-6-3-8(11)10(15-2)7(4-12)9(6)13-14/h3,5H,1-2H3.
What are the key properties of 5-bromo-6-methoxy-2-methylindazole-7-carbonitrile?
5-bromo-6-methoxy-2-methylindazole-7-carbonitrile has a molecular weight of 266.10 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methoxy-2-methylindazole-7-carbonitrile is sourced from PubChem (CID 168977559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).