7H-cyclopenta[b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine

C22H25BN2O2 — CID 160510610

IUPAC7H-cyclopenta[b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine
SMILESC1=Cc2cccnc2C1.CC1(C)OB(C2=CCc3ncccc32)OC1(C)C
InChIInChI=1S/C14H18BNO2.C8H7N/c1-13(2)14(3,4)18-15(17-13)11-7-8-12-10(11)6-5-9-16-12;1-3-7-4-2-6-9-8(7)5-1/h5-7,9H,8H2,1-4H3;1-4,6H,5H2
InChIKeyQSZOTDVCQNVVDE-UHFFFAOYSA-N
MW360.27 g/mol
LogP4.30
Rot. Bonds1

About 7H-cyclopenta[b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine

7H-cyclopenta[b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine (PubChem CID 160510610) has the molecular formula C22H25BN2O2 and a molecular weight of 360.27 g/mol. Its IUPAC name is 7H-cyclopenta[b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name7H-cyclopenta[b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine
PubChem CID160510610
Molecular FormulaC22H25BN2O2
Molecular Weight360.27 g/mol
Exact Mass360.20
IUPAC Name7H-cyclopenta[b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine
SMILESC1=Cc2cccnc2C1.CC1(C)OB(C2=CCc3ncccc32)OC1(C)C
InChIInChI=1S/C14H18BNO2.C8H7N/c1-13(2)14(3,4)18-15(17-13)11-7-8-12-10(11)6-5-9-16-12;1-3-7-4-2-6-9-8(7)5-1/h5-7,9H,8H2,1-4H3;1-4,6H,5H2
InChIKeyQSZOTDVCQNVVDE-UHFFFAOYSA-N
XLogP4.30
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 54.30
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

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydroquinoline
CID 168807573
7H-cyclopenta[b]pyridine;ethane
CID 91481517
7H-quinoline-8-thione
CID 141013910
acetic acid;3-bromo-1-cyclopropylpyrrolo[2,3-b]pyridine;copper;7H-cyclopenta[b]pyridine;cyclopropylboronic acid;1-cyclopropylpyrrolo[2,3-b]pyridine;1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 167563956
6-[(1R)-1-[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528186
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-dihydropyrrolo[2,3-b]azepine
CID 143838083
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,8-naphthyridine
CID 58516857
8-[4-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline
CID 162398687
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,10-phenanthroline
CID 58340445
2-(9,9-dimethylfluoren-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 169262142
6-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171527982
5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 131748318

Frequently Asked Questions

What is the IUPAC name of 7H-cyclopenta[b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine?
The IUPAC name of 7H-cyclopenta[b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine (CID 160510610) is 7H-cyclopenta[b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 7H-cyclopenta[b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine?
The canonical SMILES for 7H-cyclopenta[b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine is C1=Cc2cccnc2C1.CC1(C)OB(C2=CCc3ncccc32)OC1(C)C.
What is the InChIKey of 7H-cyclopenta[b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine?
The InChIKey is QSZOTDVCQNVVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BNO2.C8H7N/c1-13(2)14(3,4)18-15(17-13)11-7-8-12-10(11)6-5-9-16-12;1-3-7-4-2-6-9-8(7)5-1/h5-7,9H,8H2,1-4H3;1-4,6H,5H2.
What are the key properties of 7H-cyclopenta[b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine?
7H-cyclopenta[b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine has a molecular weight of 360.27 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-cyclopenta[b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 160510610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).