[4-(5-chlorofuran-2-yl)-2-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol

C20H12ClF2NO2S — CID 24745422

IUPAC[4-(5-chlorofuran-2-yl)-2-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)o2)csc1-c1ccc(F)cc1F
InChIInChI=1S/C20H12ClF2NO2S/c21-17-6-5-16(26-17)14-10-27-20(13-4-3-12(22)8-15(13)23)18(14)19(25)11-2-1-7-24-9-11/h1-10,19,25H
InChIKeyRLCPLVDHDQYSHY-UHFFFAOYSA-N
MW403.84 g/mol
LogP6.08
Rot. Bonds4

About [4-(5-chlorofuran-2-yl)-2-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol

[4-(5-chlorofuran-2-yl)-2-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol (PubChem CID 24745422) has the molecular formula C20H12ClF2NO2S and a molecular weight of 403.84 g/mol. Its IUPAC name is [4-(5-chlorofuran-2-yl)-2-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[4-(5-chlorofuran-2-yl)-2-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
PubChem CID24745422
Molecular FormulaC20H12ClF2NO2S
Molecular Weight403.84 g/mol
Exact Mass403.02
IUPAC Name[4-(5-chlorofuran-2-yl)-2-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)o2)csc1-c1ccc(F)cc1F
InChIInChI=1S/C20H12ClF2NO2S/c21-17-6-5-16(26-17)14-10-27-20(13-4-3-12(22)8-15(13)23)18(14)19(25)11-2-1-7-24-9-11/h1-10,19,25H
InChIKeyRLCPLVDHDQYSHY-UHFFFAOYSA-N
XLogP6.08
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.84
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-Chlorofuran-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 46229231
4-[2-(4-Fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine
CID 118903766
4-(5-Chlorofuran-2-yl)-2-pyridin-3-yl-6-thiophen-3-ylpyridine
CID 46229277
[4-(4-Chloro-2-fluorophenyl)-2-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol
CID 58463333
[4-(4-Chloro-2-fluorophenyl)-2-thiophen-3-ylfuran-3-yl]-pyridin-3-ylmethanol
CID 58463334
[4-(2,4-Difluorophenyl)-2-thiophen-3-ylfuran-3-yl]-pyridin-3-ylmethanol
CID 58463337
[4-(4-Chloro-2-fluorophenyl)-2-(2-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463343
[2-(3,5-Difluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol
CID 58463352
[4-(5-Chlorothiophen-2-yl)-2-(2-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463355
[2-(4-Fluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol
CID 58463362
[4-(5-Chlorothiophen-2-yl)-2-(2,4-difluorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463366
[4-(2,4-Difluorophenyl)-2-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol
CID 58463367

Frequently Asked Questions

What is the IUPAC name of [4-(5-chlorofuran-2-yl)-2-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [4-(5-chlorofuran-2-yl)-2-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol (CID 24745422) is [4-(5-chlorofuran-2-yl)-2-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [4-(5-chlorofuran-2-yl)-2-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [4-(5-chlorofuran-2-yl)-2-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccc(Cl)o2)csc1-c1ccc(F)cc1F.
What is the InChIKey of [4-(5-chlorofuran-2-yl)-2-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The InChIKey is RLCPLVDHDQYSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF2NO2S/c21-17-6-5-16(26-17)14-10-27-20(13-4-3-12(22)8-15(13)23)18(14)19(25)11-2-1-7-24-9-11/h1-10,19,25H.
What are the key properties of [4-(5-chlorofuran-2-yl)-2-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
[4-(5-chlorofuran-2-yl)-2-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol has a molecular weight of 403.84 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chlorofuran-2-yl)-2-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 24745422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).