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

C22H13F4NOS — CID 24744945

IUPAC[2,4-bis(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(F)cc2F)csc1-c1ccc(F)cc1F
InChIInChI=1S/C22H13F4NOS/c23-13-3-5-15(18(25)8-13)17-11-29-22(16-6-4-14(24)9-19(16)26)20(17)21(28)12-2-1-7-27-10-12/h1-11,21,28H
InChIKeyTWHLAEZEUQZEMJ-UHFFFAOYSA-N
MW415.41 g/mol
LogP6.12
Rot. Bonds4

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

[2,4-bis(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol (PubChem CID 24744945) has the molecular formula C22H13F4NOS and a molecular weight of 415.41 g/mol. Its IUPAC name is [2,4-bis(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[2,4-bis(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
PubChem CID24744945
Molecular FormulaC22H13F4NOS
Molecular Weight415.41 g/mol
Exact Mass415.07
IUPAC Name[2,4-bis(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(F)cc2F)csc1-c1ccc(F)cc1F
InChIInChI=1S/C22H13F4NOS/c23-13-3-5-15(18(25)8-13)17-11-29-22(16-6-4-14(24)9-19(16)26)20(17)21(28)12-2-1-7-27-10-12/h1-11,21,28H
InChIKeyTWHLAEZEUQZEMJ-UHFFFAOYSA-N
XLogP6.12
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.41
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Chloro-2-fluorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol
CID 56662427
(4-Chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol
CID 56665868
1-Benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56672374
(4-Chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol
CID 56679338
Pyridin-3-yl(thiophen-2-yl)methanol
CID 650499
2-Thiophenemethanol, 5-(3-pyridinyl)-
CID 11816351
4-[5-(4-Fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol
CID 118903730
4-[5-(4-Fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol
CID 118911850
1-[5-(4-Fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol
CID 118911858
4-[3,5-Bis(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol
CID 118911866
(3,4-Difluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol
CID 49795528
2-Chloropyridin-3-yl-thiophen-2-yl-methanol
CID 23284530

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [2,4-bis(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol (CID 24744945) is [2,4-bis(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [2,4-bis(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [2,4-bis(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccc(F)cc2F)csc1-c1ccc(F)cc1F.
What is the InChIKey of [2,4-bis(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The InChIKey is TWHLAEZEUQZEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F4NOS/c23-13-3-5-15(18(25)8-13)17-11-29-22(16-6-4-14(24)9-19(16)26)20(17)21(28)12-2-1-7-27-10-12/h1-11,21,28H.
What are the key properties of [2,4-bis(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
[2,4-bis(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol has a molecular weight of 415.41 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 24744945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).