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

C22H14ClF2NO2 — CID 58463393

IUPAC[4-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2F)coc1-c1cccc(F)c1
InChIInChI=1S/C22H14ClF2NO2/c23-15-6-7-17(19(25)10-15)18-12-28-22(13-3-1-5-16(24)9-13)20(18)21(27)14-4-2-8-26-11-14/h1-12,21,27H
InChIKeyGOKVLHXBEAGSRG-UHFFFAOYSA-N
MW397.81 g/mol
LogP6.02
Rot. Bonds4

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

[4-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol (PubChem CID 58463393) has the molecular formula C22H14ClF2NO2 and a molecular weight of 397.81 g/mol. Its IUPAC name is [4-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[4-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol
PubChem CID58463393
Molecular FormulaC22H14ClF2NO2
Molecular Weight397.81 g/mol
Exact Mass397.07
IUPAC Name[4-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2F)coc1-c1cccc(F)c1
InChIInChI=1S/C22H14ClF2NO2/c23-15-6-7-17(19(25)10-15)18-12-28-22(13-3-1-5-16(24)9-13)20(18)21(27)14-4-2-8-26-11-14/h1-12,21,27H
InChIKeyGOKVLHXBEAGSRG-UHFFFAOYSA-N
XLogP6.02
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.81
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [4-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol (CID 58463393) is [4-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [4-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [4-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccc(Cl)cc2F)coc1-c1cccc(F)c1.
What is the InChIKey of [4-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol?
The InChIKey is GOKVLHXBEAGSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF2NO2/c23-15-6-7-17(19(25)10-15)18-12-28-22(13-3-1-5-16(24)9-13)20(18)21(27)14-4-2-8-26-11-14/h1-12,21,27H.
What are the key properties of [4-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol?
[4-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol has a molecular weight of 397.81 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 58463393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).