1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C19H20BFN2O2 — CID 46830501

IUPAC1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCC1(C)OB(c2ccc3c(cnn3-c3ccc(F)cc3)c2)OC1(C)C
InChIInChI=1S/C19H20BFN2O2/c1-18(2)19(3,4)25-20(24-18)14-5-10-17-13(11-14)12-22-23(17)16-8-6-15(21)7-9-16/h5-12H,1-4H3
InChIKeyVKTUHAPBCWSUPN-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.46
Rot. Bonds2

About 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 46830501) has the molecular formula C19H20BFN2O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
PubChem CID46830501
Molecular FormulaC19H20BFN2O2
Molecular Weight338.19 g/mol
Exact Mass338.16
IUPAC Name1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCC1(C)OB(c2ccc3c(cnn3-c3ccc(F)cc3)c2)OC1(C)C
InChIInChI=1S/C19H20BFN2O2/c1-18(2)19(3,4)25-20(24-18)14-5-10-17-13(11-14)12-22-23(17)16-8-6-15(21)7-9-16/h5-12H,1-4H3
InChIKeyVKTUHAPBCWSUPN-UHFFFAOYSA-N
XLogP3.46
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenol
CID 163234419
1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine
CID 146709658
1-(4-fluorophenyl)indazol-5-amine
CID 59235727
1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 90189368
3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 151752438
5,10-difluoro-15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 154725614
3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-a]carbazole
CID 144781048
N-chloro-1-(4-fluorophenyl)indazol-5-amine
CID 164606394
5-(2,2-dimethylpropyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-5-ium
CID 91510089
ethane;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 145002389
1-(3-chloro-6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 140798284
CID 88941720
CID 88941720

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The IUPAC name of 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 46830501) is 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is CC1(C)OB(c2ccc3c(cnn3-c3ccc(F)cc3)c2)OC1(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The InChIKey is VKTUHAPBCWSUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BFN2O2/c1-18(2)19(3,4)25-20(24-18)14-5-10-17-13(11-14)12-22-23(17)16-8-6-15(21)7-9-16/h5-12H,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 338.19 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 46830501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).