[2-(4-chloro-2-fluorophenyl)-4-(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol

C22H14Cl2FNO2 — CID 58463395

IUPAC[2-(4-chloro-2-fluorophenyl)-4-(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2)coc1-c1ccc(Cl)cc1F
InChIInChI=1S/C22H14Cl2FNO2/c23-15-5-3-13(4-6-15)18-12-28-22(17-8-7-16(24)10-19(17)25)20(18)21(27)14-2-1-9-26-11-14/h1-12,21,27H
InChIKeyWFGUOVXBSPGIKF-UHFFFAOYSA-N
MW414.26 g/mol
LogP6.54
Rot. Bonds4

About [2-(4-chloro-2-fluorophenyl)-4-(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol

[2-(4-chloro-2-fluorophenyl)-4-(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol (PubChem CID 58463395) has the molecular formula C22H14Cl2FNO2 and a molecular weight of 414.26 g/mol. Its IUPAC name is [2-(4-chloro-2-fluorophenyl)-4-(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[2-(4-chloro-2-fluorophenyl)-4-(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol
PubChem CID58463395
Molecular FormulaC22H14Cl2FNO2
Molecular Weight414.26 g/mol
Exact Mass413.04
IUPAC Name[2-(4-chloro-2-fluorophenyl)-4-(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2)coc1-c1ccc(Cl)cc1F
InChIInChI=1S/C22H14Cl2FNO2/c23-15-5-3-13(4-6-15)18-12-28-22(17-8-7-16(24)10-19(17)25)20(18)21(27)14-2-1-9-26-11-14/h1-12,21,27H
InChIKeyWFGUOVXBSPGIKF-UHFFFAOYSA-N
XLogP6.54
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.26
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-fluorophenyl)-4-(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [2-(4-chloro-2-fluorophenyl)-4-(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol (CID 58463395) is [2-(4-chloro-2-fluorophenyl)-4-(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [2-(4-chloro-2-fluorophenyl)-4-(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [2-(4-chloro-2-fluorophenyl)-4-(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccc(Cl)cc2)coc1-c1ccc(Cl)cc1F.
What is the InChIKey of [2-(4-chloro-2-fluorophenyl)-4-(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol?
The InChIKey is WFGUOVXBSPGIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2FNO2/c23-15-5-3-13(4-6-15)18-12-28-22(17-8-7-16(24)10-19(17)25)20(18)21(27)14-2-1-9-26-11-14/h1-12,21,27H.
What are the key properties of [2-(4-chloro-2-fluorophenyl)-4-(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol?
[2-(4-chloro-2-fluorophenyl)-4-(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol has a molecular weight of 414.26 g/mol, XLogP of 6.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-fluorophenyl)-4-(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 58463395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).