5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole

C14H16BrClN2O2 — CID 23134542

IUPAC5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole
SMILESClCCOc1c(Br)ccc2c1cnn2C1CCCCO1
InChIInChI=1S/C14H16BrClN2O2/c15-11-4-5-12-10(14(11)20-8-6-16)9-17-18(12)13-3-1-2-7-19-13/h4-5,9,13H,1-3,6-8H2
InChIKeyWEEVPZOZCOPCAW-UHFFFAOYSA-N
MW359.65 g/mol
LogP4.12
Rot. Bonds4

About 5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole

5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole (PubChem CID 23134542) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is 5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole
PubChem CID23134542
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC Name5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole
SMILESClCCOc1c(Br)ccc2c1cnn2C1CCCCO1
InChIInChI=1S/C14H16BrClN2O2/c15-11-4-5-12-10(14(11)20-8-6-16)9-17-18(12)13-3-1-2-7-19-13/h4-5,9,13H,1-3,6-8H2
InChIKeyWEEVPZOZCOPCAW-UHFFFAOYSA-N
XLogP4.12
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole?
The IUPAC name of 5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole (CID 23134542) is 5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole.
What is the SMILES notation for 5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole?
The canonical SMILES for 5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole is ClCCOc1c(Br)ccc2c1cnn2C1CCCCO1.
What is the InChIKey of 5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole?
The InChIKey is WEEVPZOZCOPCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2/c15-11-4-5-12-10(14(11)20-8-6-16)9-17-18(12)13-3-1-2-7-19-13/h4-5,9,13H,1-3,6-8H2.
What are the key properties of 5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole?
5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole has a molecular weight of 359.65 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole is sourced from PubChem (CID 23134542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).