1-[(E)-2-chloroprop-1-enyl]-2-ethylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C16H23BClNO2 — CID 173482359

IUPAC1-[(E)-2-chloroprop-1-enyl]-2-ethylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC=C1C=CC(B2OC(C)(C)C(C)(C)O2)=CN1/C=C(\C)Cl
InChIInChI=1S/C16H23BClNO2/c1-7-14-9-8-13(11-19(14)10-12(2)18)17-20-15(3,4)16(5,6)21-17/h7-11H,1-6H3/b12-10+,14-7?
InChIKeyDWNYQOYOTURDJI-XQWYRQERSA-N
MW307.63 g/mol
LogP4.38
Rot. Bonds2

About 1-[(E)-2-chloroprop-1-enyl]-2-ethylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

1-[(E)-2-chloroprop-1-enyl]-2-ethylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 173482359) has the molecular formula C16H23BClNO2 and a molecular weight of 307.63 g/mol. Its IUPAC name is 1-[(E)-2-chloroprop-1-enyl]-2-ethylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name1-[(E)-2-chloroprop-1-enyl]-2-ethylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID173482359
Molecular FormulaC16H23BClNO2
Molecular Weight307.63 g/mol
Exact Mass307.15
IUPAC Name1-[(E)-2-chloroprop-1-enyl]-2-ethylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC=C1C=CC(B2OC(C)(C)C(C)(C)O2)=CN1/C=C(\C)Cl
InChIInChI=1S/C16H23BClNO2/c1-7-14-9-8-13(11-19(14)10-12(2)18)17-20-15(3,4)16(5,6)21-17/h7-11H,1-6H3/b12-10+,14-7?
InChIKeyDWNYQOYOTURDJI-XQWYRQERSA-N
XLogP4.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.63
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(E)-2-chloroprop-1-enyl]-2-ethylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,5,5-tetramethyl-2-[4-(2-methylprop-1-enyl)phenyl]-1,3,2-dioxaborolane
CID 58150672
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-triazolo[1,5-a]pyridin-2-amine
CID 153455133
4,4,5,5-tetramethyl-2-[2,3,4-trifluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 56973103
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-2,4-dien-1-ol
CID 150464617
2,5-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 44755157
2-(2,5-dimethylthiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 53429018
2-[6-amino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-2,4-dien-1-yl]-2-iminoacetaldehyde
CID 144667568
(1R)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,10-diazatricyclo[5.3.0.02,10]deca-3,5-diene-8-carbaldehyde
CID 174083976
(E)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enoic acid
CID 75487324
prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane
CID 160688261
4,4,5,5-tetramethyl-2-[(Z)-1-phenylprop-1-enyl]-1,3,2-dioxaborolane
CID 15748693

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-chloroprop-1-enyl]-2-ethylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 1-[(E)-2-chloroprop-1-enyl]-2-ethylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 173482359) is 1-[(E)-2-chloroprop-1-enyl]-2-ethylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 1-[(E)-2-chloroprop-1-enyl]-2-ethylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 1-[(E)-2-chloroprop-1-enyl]-2-ethylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC=C1C=CC(B2OC(C)(C)C(C)(C)O2)=CN1/C=C(\C)Cl.
What is the InChIKey of 1-[(E)-2-chloroprop-1-enyl]-2-ethylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is DWNYQOYOTURDJI-XQWYRQERSA-N. The full InChI is InChI=1S/C16H23BClNO2/c1-7-14-9-8-13(11-19(14)10-12(2)18)17-20-15(3,4)16(5,6)21-17/h7-11H,1-6H3/b12-10+,14-7?.
What are the key properties of 1-[(E)-2-chloroprop-1-enyl]-2-ethylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
1-[(E)-2-chloroprop-1-enyl]-2-ethylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 307.63 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-chloroprop-1-enyl]-2-ethylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 173482359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).