(5,5-dimethylindeno[1,2-c]pyridin-7-yl)boronic acid

C14H14BNO2 — CID 142724289

IUPAC(5,5-dimethylindeno[1,2-c]pyridin-7-yl)boronic acid
SMILESCC1(C)c2ccncc2-c2ccc(B(O)O)cc21
InChIInChI=1S/C14H14BNO2/c1-14(2)12-5-6-16-8-11(12)10-4-3-9(15(17)18)7-13(10)14/h3-8,17-18H,1-2H3
InChIKeyOZXIABWWDJACLK-UHFFFAOYSA-N
MW239.08 g/mol
LogP1.07
Rot. Bonds1

About (5,5-dimethylindeno[1,2-c]pyridin-7-yl)boronic acid

(5,5-dimethylindeno[1,2-c]pyridin-7-yl)boronic acid (PubChem CID 142724289) has the molecular formula C14H14BNO2 and a molecular weight of 239.08 g/mol. Its IUPAC name is (5,5-dimethylindeno[1,2-c]pyridin-7-yl)boronic acid.

Molecular Properties

Compound Name(5,5-dimethylindeno[1,2-c]pyridin-7-yl)boronic acid
PubChem CID142724289
Molecular FormulaC14H14BNO2
Molecular Weight239.08 g/mol
Exact Mass239.11
IUPAC Name(5,5-dimethylindeno[1,2-c]pyridin-7-yl)boronic acid
SMILESCC1(C)c2ccncc2-c2ccc(B(O)O)cc21
InChIInChI=1S/C14H14BNO2/c1-14(2)12-5-6-16-8-11(12)10-4-3-9(15(17)18)7-13(10)14/h3-8,17-18H,1-2H3
InChIKeyOZXIABWWDJACLK-UHFFFAOYSA-N
XLogP1.07
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7-borono-9,9-dimethylfluoren-2-yl)boronic acid
CID 24820467
(7,9,9-trimethylfluoren-2-yl)boronic acid
CID 125469672
[4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid
CID 59691054
(7-borono-9,9-difluorofluoren-2-yl)boronic acid
CID 140844524
[9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid
CID 142699767
4-[4-(3-chlorophenyl)phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;(9,9-dimethylfluoren-2-yl)boronic acid;4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;phosphanylphosphane;yttrium
CID 157231339
3,5-bis(9,9-dimethylfluoren-2-yl)-N,N-dipyridin-4-ylpyridin-4-amine
CID 58389698
[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid
CID 90219546
(9,9-dimethylfluoren-2-yl)boronic acid;9,9-dimethyl-2-[2,4,5-tris(9,9-dimethylfluoren-2-yl)phenyl]fluorene;palladium;1,2,4,5-tetrabromobenzene;tetrakis(triphenylphosphane)
CID 158916826
(2'-borono-9,9'-spirobi[fluorene]-2-yl)boronic acid
CID 121230960
spiro[fluorene-9,5'-indeno[1,2-c]pyridine]-4-ylboronic acid
CID 141481973
[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]boronic acid;ethene
CID 144631341

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethylindeno[1,2-c]pyridin-7-yl)boronic acid?
The IUPAC name of (5,5-dimethylindeno[1,2-c]pyridin-7-yl)boronic acid (CID 142724289) is (5,5-dimethylindeno[1,2-c]pyridin-7-yl)boronic acid.
What is the SMILES notation for (5,5-dimethylindeno[1,2-c]pyridin-7-yl)boronic acid?
The canonical SMILES for (5,5-dimethylindeno[1,2-c]pyridin-7-yl)boronic acid is CC1(C)c2ccncc2-c2ccc(B(O)O)cc21.
What is the InChIKey of (5,5-dimethylindeno[1,2-c]pyridin-7-yl)boronic acid?
The InChIKey is OZXIABWWDJACLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BNO2/c1-14(2)12-5-6-16-8-11(12)10-4-3-9(15(17)18)7-13(10)14/h3-8,17-18H,1-2H3.
What are the key properties of (5,5-dimethylindeno[1,2-c]pyridin-7-yl)boronic acid?
(5,5-dimethylindeno[1,2-c]pyridin-7-yl)boronic acid has a molecular weight of 239.08 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethylindeno[1,2-c]pyridin-7-yl)boronic acid is sourced from PubChem (CID 142724289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).