3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine

C14H20BNO2 — CID 175960409

IUPAC3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine
SMILESCC1(C)OB(C2(c3cccnc3)CC2)OC1(C)C
InChIInChI=1S/C14H20BNO2/c1-12(2)13(3,4)18-15(17-12)14(7-8-14)11-6-5-9-16-10-11/h5-6,9-10H,7-8H2,1-4H3
InChIKeyFGHWNBWEEINIDN-UHFFFAOYSA-N
MW245.13 g/mol
LogP2.74
Rot. Bonds2

About 3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine

3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine (PubChem CID 175960409) has the molecular formula C14H20BNO2 and a molecular weight of 245.13 g/mol. Its IUPAC name is 3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine.

Molecular Properties

Compound Name3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine
PubChem CID175960409
Molecular FormulaC14H20BNO2
Molecular Weight245.13 g/mol
Exact Mass245.16
IUPAC Name3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine
SMILESCC1(C)OB(C2(c3cccnc3)CC2)OC1(C)C
InChIInChI=1S/C14H20BNO2/c1-12(2)13(3,4)18-15(17-12)14(7-8-14)11-6-5-9-16-10-11/h5-6,9-10H,7-8H2,1-4H3
InChIKeyFGHWNBWEEINIDN-UHFFFAOYSA-N
XLogP2.74
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(1-methylcyclobutyl)pyridine
CID 142353863
3-(3-bromo-1-methylcyclopentyl)pyridine
CID 116540502
(3S)-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-one
CID 135062360
3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine
CID 13486942
3-[3-pyridin-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 59638589
3-(2-methylpiperidin-2-yl)pyridine
CID 23344429
4,4,5,5-tetramethyl-2-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
CID 164510813
3-(1-fluorocyclobutyl)pyridine
CID 158766896
(3R)-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-one
CID 101484684
(2,2-dimethyl-1-pyridin-3-ylcyclopropyl)methanamine
CID 83481940
3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 155691422
1-(2,2-dimethyl-5-pyridin-3-yl-1,3-dioxan-5-yl)ethanone
CID 90089948

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine?
The IUPAC name of 3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine (CID 175960409) is 3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine.
What is the SMILES notation for 3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine?
The canonical SMILES for 3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine is CC1(C)OB(C2(c3cccnc3)CC2)OC1(C)C.
What is the InChIKey of 3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine?
The InChIKey is FGHWNBWEEINIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BNO2/c1-12(2)13(3,4)18-15(17-12)14(7-8-14)11-6-5-9-16-10-11/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine?
3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine has a molecular weight of 245.13 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine is sourced from PubChem (CID 175960409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).