1-(4-bromophenyl)-4,7-difluoro-6-(methoxymethoxy)indazole

C15H11BrF2N2O2 — CID 163233642

IUPAC1-(4-bromophenyl)-4,7-difluoro-6-(methoxymethoxy)indazole
SMILESCOCOc1cc(F)c2cnn(-c3ccc(Br)cc3)c2c1F
InChIInChI=1S/C15H11BrF2N2O2/c1-21-8-22-13-6-12(17)11-7-19-20(15(11)14(13)18)10-4-2-9(16)3-5-10/h2-7H,8H2,1H3
InChIKeyQNASHWKRKUZBOC-UHFFFAOYSA-N
MW369.17 g/mol
LogP4.05
Rot. Bonds4

About 1-(4-bromophenyl)-4,7-difluoro-6-(methoxymethoxy)indazole

1-(4-bromophenyl)-4,7-difluoro-6-(methoxymethoxy)indazole (PubChem CID 163233642) has the molecular formula C15H11BrF2N2O2 and a molecular weight of 369.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4,7-difluoro-6-(methoxymethoxy)indazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-4,7-difluoro-6-(methoxymethoxy)indazole
PubChem CID163233642
Molecular FormulaC15H11BrF2N2O2
Molecular Weight369.17 g/mol
Exact Mass368.00
IUPAC Name1-(4-bromophenyl)-4,7-difluoro-6-(methoxymethoxy)indazole
SMILESCOCOc1cc(F)c2cnn(-c3ccc(Br)cc3)c2c1F
InChIInChI=1S/C15H11BrF2N2O2/c1-21-8-22-13-6-12(17)11-7-19-20(15(11)14(13)18)10-4-2-9(16)3-5-10/h2-7H,8H2,1H3
InChIKeyQNASHWKRKUZBOC-UHFFFAOYSA-N
XLogP4.05
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.17
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4,7-difluoro-6-(methoxymethoxy)indazole?
The IUPAC name of 1-(4-bromophenyl)-4,7-difluoro-6-(methoxymethoxy)indazole (CID 163233642) is 1-(4-bromophenyl)-4,7-difluoro-6-(methoxymethoxy)indazole.
What is the SMILES notation for 1-(4-bromophenyl)-4,7-difluoro-6-(methoxymethoxy)indazole?
The canonical SMILES for 1-(4-bromophenyl)-4,7-difluoro-6-(methoxymethoxy)indazole is COCOc1cc(F)c2cnn(-c3ccc(Br)cc3)c2c1F.
What is the InChIKey of 1-(4-bromophenyl)-4,7-difluoro-6-(methoxymethoxy)indazole?
The InChIKey is QNASHWKRKUZBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2N2O2/c1-21-8-22-13-6-12(17)11-7-19-20(15(11)14(13)18)10-4-2-9(16)3-5-10/h2-7H,8H2,1H3.
What are the key properties of 1-(4-bromophenyl)-4,7-difluoro-6-(methoxymethoxy)indazole?
1-(4-bromophenyl)-4,7-difluoro-6-(methoxymethoxy)indazole has a molecular weight of 369.17 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4,7-difluoro-6-(methoxymethoxy)indazole is sourced from PubChem (CID 163233642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).