(7-fluoro-2-methylindazol-5-yl)-methyl-propylborane

C12H16BFN2 — CID 168978878

IUPAC(7-fluoro-2-methylindazol-5-yl)-methyl-propylborane
SMILESCCCB(C)c1cc(F)c2nn(C)cc2c1
InChIInChI=1S/C12H16BFN2/c1-4-5-13(2)10-6-9-8-16(3)15-12(9)11(14)7-10/h6-8H,4-5H2,1-3H3
InChIKeyMUXJXPWAPZMAQQ-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.45
Rot. Bonds3

About (7-fluoro-2-methylindazol-5-yl)-methyl-propylborane

(7-fluoro-2-methylindazol-5-yl)-methyl-propylborane (PubChem CID 168978878) has the molecular formula C12H16BFN2 and a molecular weight of 218.08 g/mol. Its IUPAC name is (7-fluoro-2-methylindazol-5-yl)-methyl-propylborane.

Molecular Properties

Compound Name(7-fluoro-2-methylindazol-5-yl)-methyl-propylborane
PubChem CID168978878
Molecular FormulaC12H16BFN2
Molecular Weight218.08 g/mol
Exact Mass218.14
IUPAC Name(7-fluoro-2-methylindazol-5-yl)-methyl-propylborane
SMILESCCCB(C)c1cc(F)c2nn(C)cc2c1
InChIInChI=1S/C12H16BFN2/c1-4-5-13(2)10-6-9-8-16(3)15-12(9)11(14)7-10/h6-8H,4-5H2,1-3H3
InChIKeyMUXJXPWAPZMAQQ-UHFFFAOYSA-N
XLogP2.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole
CID 156888629
S-[(7-fluoro-2-methylindazol-5-yl)methyl] butanethioate
CID 177040790
5-ethyl-7-fluoro-6-methoxy-2-methylindazole
CID 167501474
5-ethyl-7-fluoro-2-methylindazol-6-ol
CID 168902393
7-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 139022780
7-fluoro-5-(1H-imidazol-2-yl)-2-methylindazole
CID 175904167
(5-ethyl-7-fluoro-2-methylindazol-6-yl)methanol
CID 176566685
cyclohexane;7-fluoro-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-methylindazole;methane
CID 170593484
N-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine
CID 176566654
8-fluoro-2-methylimidazo[1,2-a]pyridin-6-amine;7-fluoro-2-methylindazol-5-amine
CID 156888280
(7-fluoro-2,5-dimethylindazol-6-yl)methanol
CID 176566434
7-chloro-6-fluoro-2,4-dimethylindazole
CID 166076486

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2-methylindazol-5-yl)-methyl-propylborane?
The IUPAC name of (7-fluoro-2-methylindazol-5-yl)-methyl-propylborane (CID 168978878) is (7-fluoro-2-methylindazol-5-yl)-methyl-propylborane.
What is the SMILES notation for (7-fluoro-2-methylindazol-5-yl)-methyl-propylborane?
The canonical SMILES for (7-fluoro-2-methylindazol-5-yl)-methyl-propylborane is CCCB(C)c1cc(F)c2nn(C)cc2c1.
What is the InChIKey of (7-fluoro-2-methylindazol-5-yl)-methyl-propylborane?
The InChIKey is MUXJXPWAPZMAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BFN2/c1-4-5-13(2)10-6-9-8-16(3)15-12(9)11(14)7-10/h6-8H,4-5H2,1-3H3.
What are the key properties of (7-fluoro-2-methylindazol-5-yl)-methyl-propylborane?
(7-fluoro-2-methylindazol-5-yl)-methyl-propylborane has a molecular weight of 218.08 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2-methylindazol-5-yl)-methyl-propylborane is sourced from PubChem (CID 168978878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).