[2-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)furan-3-yl]-pyridin-3-ylmethanol

C20H13Cl2NO2S — CID 58463418

IUPAC[2-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)furan-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)s2)coc1-c1cccc(Cl)c1
InChIInChI=1S/C20H13Cl2NO2S/c21-14-5-1-3-12(9-14)20-18(19(24)13-4-2-8-23-10-13)15(11-25-20)16-6-7-17(22)26-16/h1-11,19,24H
InChIKeyDTOXKGURDCODHK-UHFFFAOYSA-N
MW402.30 g/mol
LogP6.46
Rot. Bonds4

About [2-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)furan-3-yl]-pyridin-3-ylmethanol

[2-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)furan-3-yl]-pyridin-3-ylmethanol (PubChem CID 58463418) has the molecular formula C20H13Cl2NO2S and a molecular weight of 402.30 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)furan-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)furan-3-yl]-pyridin-3-ylmethanol
PubChem CID58463418
Molecular FormulaC20H13Cl2NO2S
Molecular Weight402.30 g/mol
Exact Mass401.00
IUPAC Name[2-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)furan-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)s2)coc1-c1cccc(Cl)c1
InChIInChI=1S/C20H13Cl2NO2S/c21-14-5-1-3-12(9-14)20-18(19(24)13-4-2-8-23-10-13)15(11-25-20)16-6-7-17(22)26-16/h1-11,19,24H
InChIKeyDTOXKGURDCODHK-UHFFFAOYSA-N
XLogP6.46
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.30
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463442
[4-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463425
[2-(3-chlorophenyl)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethanol
CID 24745420
[4-(5-chlorothiophen-2-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)furan-3-yl]-pyridin-3-ylmethanol
CID 143495061
[4-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol
CID 58463422
[2-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol
CID 58463341
[3-(4-chloro-2-fluorophenyl)-5-(5-chlorothiophen-2-yl)-2,3-dihydrofuran-4-yl]-pyridin-3-ylmethanol
CID 70883263
[4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane
CID 143495031
(4-chlorothiophen-2-yl)-pyridin-3-ylmethanol
CID 79428213
(3,5-dichlorophenyl)-pyridin-3-ylmethanol
CID 63900537
[5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59674978
[2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 24745417

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)furan-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [2-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)furan-3-yl]-pyridin-3-ylmethanol (CID 58463418) is [2-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)furan-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [2-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)furan-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [2-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)furan-3-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccc(Cl)s2)coc1-c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)furan-3-yl]-pyridin-3-ylmethanol?
The InChIKey is DTOXKGURDCODHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NO2S/c21-14-5-1-3-12(9-14)20-18(19(24)13-4-2-8-23-10-13)15(11-25-20)16-6-7-17(22)26-16/h1-11,19,24H.
What are the key properties of [2-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)furan-3-yl]-pyridin-3-ylmethanol?
[2-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)furan-3-yl]-pyridin-3-ylmethanol has a molecular weight of 402.30 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)furan-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 58463418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).