[2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol

C22H15Cl2NO2 — CID 58463442

IUPAC[2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2)coc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H15Cl2NO2/c23-17-7-3-14(4-8-17)19-13-27-22(15-5-9-18(24)10-6-15)20(19)21(26)16-2-1-11-25-12-16/h1-13,21,26H
InChIKeySHDYBMINRQRMMH-UHFFFAOYSA-N
MW396.27 g/mol
LogP6.40
Rot. Bonds4

About [2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol

[2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol (PubChem CID 58463442) has the molecular formula C22H15Cl2NO2 and a molecular weight of 396.27 g/mol. Its IUPAC name is [2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol
PubChem CID58463442
Molecular FormulaC22H15Cl2NO2
Molecular Weight396.27 g/mol
Exact Mass395.05
IUPAC Name[2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2)coc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H15Cl2NO2/c23-17-7-3-14(4-8-17)19-13-27-22(15-5-9-18(24)10-6-15)20(19)21(26)16-2-1-11-25-12-16/h1-13,21,26H
InChIKeySHDYBMINRQRMMH-UHFFFAOYSA-N
XLogP6.40
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.27
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463425
[2-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463418
[5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59675028
[3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59675031
[5-(4-chlorophenyl)-3-(3-methylbutan-2-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 58463283
[5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59674978
[4-(4-chlorophenyl)-1-methyl-2-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol
CID 58463428
(3,5-dichlorophenyl)-pyridin-3-ylmethanol
CID 63900537
[3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59674963
[4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol
CID 58463346
[2-(4-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 91407319
(4-chlorothiophen-2-yl)-pyridin-3-ylmethanol
CID 79428213

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol (CID 58463442) is [2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccc(Cl)cc2)coc1-c1ccc(Cl)cc1.
What is the InChIKey of [2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol?
The InChIKey is SHDYBMINRQRMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2NO2/c23-17-7-3-14(4-8-17)19-13-27-22(15-5-9-18(24)10-6-15)20(19)21(26)16-2-1-11-25-12-16/h1-13,21,26H.
What are the key properties of [2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol?
[2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol has a molecular weight of 396.27 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 58463442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).