[2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol

C24H18ClF2NOS — CID 67438518

IUPAC[2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESCC(c1ccc(Cl)cc1)c1scc(-c2ccc(F)cc2F)c1C(O)c1cccnc1
InChIInChI=1S/C24H18ClF2NOS/c1-14(15-4-6-17(25)7-5-15)24-22(23(29)16-3-2-10-28-12-16)20(13-30-24)19-9-8-18(26)11-21(19)27/h2-14,23,29H,1H3
InChIKeyPYLOXTRKMDYDAI-UHFFFAOYSA-N
MW441.93 g/mol
LogP6.98
Rot. Bonds5

About [2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol

[2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol (PubChem CID 67438518) has the molecular formula C24H18ClF2NOS and a molecular weight of 441.93 g/mol. Its IUPAC name is [2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
PubChem CID67438518
Molecular FormulaC24H18ClF2NOS
Molecular Weight441.93 g/mol
Exact Mass441.08
IUPAC Name[2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
SMILESCC(c1ccc(Cl)cc1)c1scc(-c2ccc(F)cc2F)c1C(O)c1cccnc1
InChIInChI=1S/C24H18ClF2NOS/c1-14(15-4-6-17(25)7-5-15)24-22(23(29)16-3-2-10-28-12-16)20(13-30-24)19-9-8-18(26)11-21(19)27/h2-14,23,29H,1H3
InChIKeyPYLOXTRKMDYDAI-UHFFFAOYSA-N
XLogP6.98
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.93
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol (CID 67438518) is [2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol is CC(c1ccc(Cl)cc1)c1scc(-c2ccc(F)cc2F)c1C(O)c1cccnc1.
What is the InChIKey of [2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
The InChIKey is PYLOXTRKMDYDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF2NOS/c1-14(15-4-6-17(25)7-5-15)24-22(23(29)16-3-2-10-28-12-16)20(13-30-24)19-9-8-18(26)11-21(19)27/h2-14,23,29H,1H3.
What are the key properties of [2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol?
[2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol has a molecular weight of 441.93 g/mol, XLogP of 6.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 67438518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).