2-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-6-(4-deuteriocyclohexen-1-yl)pyridine

C20H17ClFNO2 — CID 175929295

IUPAC2-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-6-(4-deuteriocyclohexen-1-yl)pyridine
SMILES[2H]C1CC=C(c2cccc(OCc3ccc(Cl)c4cc(F)oc34)n2)CC1
InChIInChI=1S/C20H17ClFNO2/c21-16-10-9-14(20-15(16)11-18(22)25-20)12-24-19-8-4-7-17(23-19)13-5-2-1-3-6-13/h4-5,7-11H,1-3,6,12H2/i1D
InChIKeyVUGPJMBNAOSVKB-MICDWDOJSA-N
MW358.82 g/mol
LogP6.16
Rot. Bonds4

About 2-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-6-(4-deuteriocyclohexen-1-yl)pyridine

2-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-6-(4-deuteriocyclohexen-1-yl)pyridine (PubChem CID 175929295) has the molecular formula C20H17ClFNO2 and a molecular weight of 358.82 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-6-(4-deuteriocyclohexen-1-yl)pyridine.

Molecular Properties

Compound Name2-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-6-(4-deuteriocyclohexen-1-yl)pyridine
PubChem CID175929295
Molecular FormulaC20H17ClFNO2
Molecular Weight358.82 g/mol
Exact Mass358.10
IUPAC Name2-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-6-(4-deuteriocyclohexen-1-yl)pyridine
SMILES[2H]C1CC=C(c2cccc(OCc3ccc(Cl)c4cc(F)oc34)n2)CC1
InChIInChI=1S/C20H17ClFNO2/c21-16-10-9-14(20-15(16)11-18(22)25-20)12-24-19-8-4-7-17(23-19)13-5-2-1-3-6-13/h4-5,7-11H,1-3,6,12H2/i1D
InChIKeyVUGPJMBNAOSVKB-MICDWDOJSA-N
XLogP6.16
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.82
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-6-(4-deuteriocyclohexen-1-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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-6-(4-deuteriocyclohexen-1-yl)pyridine?
The IUPAC name of 2-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-6-(4-deuteriocyclohexen-1-yl)pyridine (CID 175929295) is 2-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-6-(4-deuteriocyclohexen-1-yl)pyridine.
What is the SMILES notation for 2-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-6-(4-deuteriocyclohexen-1-yl)pyridine?
The canonical SMILES for 2-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-6-(4-deuteriocyclohexen-1-yl)pyridine is [2H]C1CC=C(c2cccc(OCc3ccc(Cl)c4cc(F)oc34)n2)CC1.
What is the InChIKey of 2-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-6-(4-deuteriocyclohexen-1-yl)pyridine?
The InChIKey is VUGPJMBNAOSVKB-MICDWDOJSA-N. The full InChI is InChI=1S/C20H17ClFNO2/c21-16-10-9-14(20-15(16)11-18(22)25-20)12-24-19-8-4-7-17(23-19)13-5-2-1-3-6-13/h4-5,7-11H,1-3,6,12H2/i1D.
What are the key properties of 2-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-6-(4-deuteriocyclohexen-1-yl)pyridine?
2-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-6-(4-deuteriocyclohexen-1-yl)pyridine has a molecular weight of 358.82 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-6-(4-deuteriocyclohexen-1-yl)pyridine is sourced from PubChem (CID 175929295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).