2-(6-bromo-7-methoxyindazol-1-yl)acetonitrile

C10H8BrN3O — CID 168931959

IUPAC2-(6-bromo-7-methoxyindazol-1-yl)acetonitrile
SMILESCOc1c(Br)ccc2cnn(CC#N)c12
InChIInChI=1S/C10H8BrN3O/c1-15-10-8(11)3-2-7-6-13-14(5-4-12)9(7)10/h2-3,6H,5H2,1H3
InChIKeyVIKLVBDTOFJBMR-UHFFFAOYSA-N
MW266.10 g/mol
LogP2.33
Rot. Bonds2

About 2-(6-bromo-7-methoxyindazol-1-yl)acetonitrile

2-(6-bromo-7-methoxyindazol-1-yl)acetonitrile (PubChem CID 168931959) has the molecular formula C10H8BrN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 2-(6-bromo-7-methoxyindazol-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-bromo-7-methoxyindazol-1-yl)acetonitrile
PubChem CID168931959
Molecular FormulaC10H8BrN3O
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name2-(6-bromo-7-methoxyindazol-1-yl)acetonitrile
SMILESCOc1c(Br)ccc2cnn(CC#N)c12
InChIInChI=1S/C10H8BrN3O/c1-15-10-8(11)3-2-7-6-13-14(5-4-12)9(7)10/h2-3,6H,5H2,1H3
InChIKeyVIKLVBDTOFJBMR-UHFFFAOYSA-N
XLogP2.33
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-7-methoxyindazol-1-yl)acetonitrile?
The IUPAC name of 2-(6-bromo-7-methoxyindazol-1-yl)acetonitrile (CID 168931959) is 2-(6-bromo-7-methoxyindazol-1-yl)acetonitrile.
What is the SMILES notation for 2-(6-bromo-7-methoxyindazol-1-yl)acetonitrile?
The canonical SMILES for 2-(6-bromo-7-methoxyindazol-1-yl)acetonitrile is COc1c(Br)ccc2cnn(CC#N)c12.
What is the InChIKey of 2-(6-bromo-7-methoxyindazol-1-yl)acetonitrile?
The InChIKey is VIKLVBDTOFJBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O/c1-15-10-8(11)3-2-7-6-13-14(5-4-12)9(7)10/h2-3,6H,5H2,1H3.
What are the key properties of 2-(6-bromo-7-methoxyindazol-1-yl)acetonitrile?
2-(6-bromo-7-methoxyindazol-1-yl)acetonitrile has a molecular weight of 266.10 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-7-methoxyindazol-1-yl)acetonitrile is sourced from PubChem (CID 168931959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).