1-benzofuran-2-yl-(2,4-dichlorophenyl)-pyridin-3-ylmethanol

C20H13Cl2NO2 — CID 57340427

IUPAC1-benzofuran-2-yl-(2,4-dichlorophenyl)-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)(c1cc2ccccc2o1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H13Cl2NO2/c21-15-7-8-16(17(22)11-15)20(24,14-5-3-9-23-12-14)19-10-13-4-1-2-6-18(13)25-19/h1-12,24H
InChIKeyKCNBYPZCHTYFQF-UHFFFAOYSA-N
MW370.24 g/mol
LogP5.42
Rot. Bonds3

About 1-benzofuran-2-yl-(2,4-dichlorophenyl)-pyridin-3-ylmethanol

1-benzofuran-2-yl-(2,4-dichlorophenyl)-pyridin-3-ylmethanol (PubChem CID 57340427) has the molecular formula C20H13Cl2NO2 and a molecular weight of 370.24 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(2,4-dichlorophenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(2,4-dichlorophenyl)-pyridin-3-ylmethanol
PubChem CID57340427
Molecular FormulaC20H13Cl2NO2
Molecular Weight370.24 g/mol
Exact Mass369.03
IUPAC Name1-benzofuran-2-yl-(2,4-dichlorophenyl)-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)(c1cc2ccccc2o1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H13Cl2NO2/c21-15-7-8-16(17(22)11-15)20(24,14-5-3-9-23-12-14)19-10-13-4-1-2-6-18(13)25-19/h1-12,24H
InChIKeyKCNBYPZCHTYFQF-UHFFFAOYSA-N
XLogP5.42
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.24
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(2,4-dichlorophenyl)-pyridin-3-ylmethanol?
The IUPAC name of 1-benzofuran-2-yl-(2,4-dichlorophenyl)-pyridin-3-ylmethanol (CID 57340427) is 1-benzofuran-2-yl-(2,4-dichlorophenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for 1-benzofuran-2-yl-(2,4-dichlorophenyl)-pyridin-3-ylmethanol?
The canonical SMILES for 1-benzofuran-2-yl-(2,4-dichlorophenyl)-pyridin-3-ylmethanol is OC(c1cccnc1)(c1cc2ccccc2o1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-benzofuran-2-yl-(2,4-dichlorophenyl)-pyridin-3-ylmethanol?
The InChIKey is KCNBYPZCHTYFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NO2/c21-15-7-8-16(17(22)11-15)20(24,14-5-3-9-23-12-14)19-10-13-4-1-2-6-18(13)25-19/h1-12,24H.
What are the key properties of 1-benzofuran-2-yl-(2,4-dichlorophenyl)-pyridin-3-ylmethanol?
1-benzofuran-2-yl-(2,4-dichlorophenyl)-pyridin-3-ylmethanol has a molecular weight of 370.24 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(2,4-dichlorophenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 57340427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).