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

C23H16ClF2NO2S — CID 58463394

IUPAC[2-[(4-chlorophenoxy)methyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(F)cc2F)csc1COc1ccc(Cl)cc1
InChIInChI=1S/C23H16ClF2NO2S/c24-15-3-6-17(7-4-15)29-12-21-22(23(28)14-2-1-9-27-11-14)19(13-30-21)18-8-5-16(25)10-20(18)26/h1-11,13,23,28H,12H2
InChIKeyWCTFQUYEUXTQRO-UHFFFAOYSA-N
MW443.90 g/mol
LogP6.40
Rot. Bonds6

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

[2-[(4-chlorophenoxy)methyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol (PubChem CID 58463394) has the molecular formula C23H16ClF2NO2S and a molecular weight of 443.90 g/mol. Its IUPAC name is [2-[(4-chlorophenoxy)methyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[2-[(4-chlorophenoxy)methyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
PubChem CID58463394
Molecular FormulaC23H16ClF2NO2S
Molecular Weight443.90 g/mol
Exact Mass443.06
IUPAC Name[2-[(4-chlorophenoxy)methyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(F)cc2F)csc1COc1ccc(Cl)cc1
InChIInChI=1S/C23H16ClF2NO2S/c24-15-3-6-17(7-4-15)29-12-21-22(23(28)14-2-1-9-27-11-14)19(13-30-21)18-8-5-16(25)10-20(18)26/h1-11,13,23,28H,12H2
InChIKeyWCTFQUYEUXTQRO-UHFFFAOYSA-N
XLogP6.40
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.90
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenoxy)methyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [2-[(4-chlorophenoxy)methyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol (CID 58463394) is [2-[(4-chlorophenoxy)methyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [2-[(4-chlorophenoxy)methyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [2-[(4-chlorophenoxy)methyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccc(F)cc2F)csc1COc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenoxy)methyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The InChIKey is WCTFQUYEUXTQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF2NO2S/c24-15-3-6-17(7-4-15)29-12-21-22(23(28)14-2-1-9-27-11-14)19(13-30-21)18-8-5-16(25)10-20(18)26/h1-11,13,23,28H,12H2.
What are the key properties of [2-[(4-chlorophenoxy)methyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
[2-[(4-chlorophenoxy)methyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol has a molecular weight of 443.90 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenoxy)methyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 58463394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).