5-bromo-1-[4-fluoro-3-(methoxymethoxy)phenyl]indazole

C15H12BrFN2O2 — CID 163233959

IUPAC5-bromo-1-[4-fluoro-3-(methoxymethoxy)phenyl]indazole
SMILESCOCOc1cc(-n2ncc3cc(Br)ccc32)ccc1F
InChIInChI=1S/C15H12BrFN2O2/c1-20-9-21-15-7-12(3-4-13(15)17)19-14-5-2-11(16)6-10(14)8-18-19/h2-8H,9H2,1H3
InChIKeyAGRWFEVQYUSLHD-UHFFFAOYSA-N
MW351.18 g/mol
LogP3.91
Rot. Bonds4

About 5-bromo-1-[4-fluoro-3-(methoxymethoxy)phenyl]indazole

5-bromo-1-[4-fluoro-3-(methoxymethoxy)phenyl]indazole (PubChem CID 163233959) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 5-bromo-1-[4-fluoro-3-(methoxymethoxy)phenyl]indazole.

Molecular Properties

Compound Name5-bromo-1-[4-fluoro-3-(methoxymethoxy)phenyl]indazole
PubChem CID163233959
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name5-bromo-1-[4-fluoro-3-(methoxymethoxy)phenyl]indazole
SMILESCOCOc1cc(-n2ncc3cc(Br)ccc32)ccc1F
InChIInChI=1S/C15H12BrFN2O2/c1-20-9-21-15-7-12(3-4-13(15)17)19-14-5-2-11(16)6-10(14)8-18-19/h2-8H,9H2,1H3
InChIKeyAGRWFEVQYUSLHD-UHFFFAOYSA-N
XLogP3.91
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 53.91
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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Related Compounds

2H-Indazole, 2-(3-methoxyphenyl)-
CID 3067342
1-Benzyl-3-bromodifluoromethoxy-1h-indazole
CID 129877220
1-(3-Methoxyphenyl)-1H-indazole
CID 11253079
5-Bromo-2-(4-methoxybenzyl)-2h-indazole
CID 44240126
5-Bromo-1-(4-methoxybenzyl)-1H-indazole
CID 44240527
1-(4-Bromo-3-methoxyphenyl)-4-phenyl-3-(trifluoromethyl)pyrazole
CID 54479688
4-Bromo-1-{3-fluoro-4-[(phenylmethyl)oxy]phenyl}-6-(methyloxy)-1H-indazole
CID 59272975
5-Bromo-1-{3-fluoro-4-[(phenylmethyl)oxy]phenyl}-4-(methyloxy)-1H-indazole
CID 59272976
6-Bromo-1-{3-fluoro-4-[(phenylmethyl)oxy]phenyl}-4-(methyloxy)-1H-indazole
CID 59272981
5-Bromo-1-(4-fluorophenyl)-6-methoxyindazole
CID 67069711
1-(4-Fluorophenyl)-4-methoxy-1H-indazole
CID 68921592
2-Fluoro-4-(4-methoxyindazol-1-yl)phenol
CID 71066956

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[4-fluoro-3-(methoxymethoxy)phenyl]indazole?
The IUPAC name of 5-bromo-1-[4-fluoro-3-(methoxymethoxy)phenyl]indazole (CID 163233959) is 5-bromo-1-[4-fluoro-3-(methoxymethoxy)phenyl]indazole.
What is the SMILES notation for 5-bromo-1-[4-fluoro-3-(methoxymethoxy)phenyl]indazole?
The canonical SMILES for 5-bromo-1-[4-fluoro-3-(methoxymethoxy)phenyl]indazole is COCOc1cc(-n2ncc3cc(Br)ccc32)ccc1F.
What is the InChIKey of 5-bromo-1-[4-fluoro-3-(methoxymethoxy)phenyl]indazole?
The InChIKey is AGRWFEVQYUSLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c1-20-9-21-15-7-12(3-4-13(15)17)19-14-5-2-11(16)6-10(14)8-18-19/h2-8H,9H2,1H3.
What are the key properties of 5-bromo-1-[4-fluoro-3-(methoxymethoxy)phenyl]indazole?
5-bromo-1-[4-fluoro-3-(methoxymethoxy)phenyl]indazole has a molecular weight of 351.18 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[4-fluoro-3-(methoxymethoxy)phenyl]indazole is sourced from PubChem (CID 163233959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).