(4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol

C21H16FNO3 — CID 10020714

IUPAC(4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol
SMILESCOc1ccc2cc(C(O)(c3ccc(F)cc3)c3cccnc3)oc2c1
InChIInChI=1S/C21H16FNO3/c1-25-18-9-4-14-11-20(26-19(14)12-18)21(24,16-3-2-10-23-13-16)15-5-7-17(22)8-6-15/h2-13,24H,1H3
InChIKeyHBDRSBZVRRBXMY-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.26
Rot. Bonds4

About (4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol

(4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol (PubChem CID 10020714) has the molecular formula C21H16FNO3 and a molecular weight of 349.36 g/mol. Its IUPAC name is (4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol
PubChem CID10020714
Molecular FormulaC21H16FNO3
Molecular Weight349.36 g/mol
Exact Mass349.11
IUPAC Name(4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol
SMILESCOc1ccc2cc(C(O)(c3ccc(F)cc3)c3cccnc3)oc2c1
InChIInChI=1S/C21H16FNO3/c1-25-18-9-4-14-11-20(26-19(14)12-18)21(24,16-3-2-10-23-13-16)15-5-7-17(22)8-6-15/h2-13,24H,1H3
InChIKeyHBDRSBZVRRBXMY-UHFFFAOYSA-N
XLogP4.26
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol 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 (4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol?
The IUPAC name of (4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol (CID 10020714) is (4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol is COc1ccc2cc(C(O)(c3ccc(F)cc3)c3cccnc3)oc2c1.
What is the InChIKey of (4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol?
The InChIKey is HBDRSBZVRRBXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO3/c1-25-18-9-4-14-11-20(26-19(14)12-18)21(24,16-3-2-10-23-13-16)15-5-7-17(22)8-6-15/h2-13,24H,1H3.
What are the key properties of (4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol?
(4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol has a molecular weight of 349.36 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol is sourced from PubChem (CID 10020714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).