(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone

C16H9F2NO2S — CID 122652975

IUPAC(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(-c2cccnc2)s1)c1c(F)ccc(O)c1F
InChIInChI=1S/C16H9F2NO2S/c17-10-3-4-11(20)15(18)14(10)16(21)13-6-5-12(22-13)9-2-1-7-19-8-9/h1-8,20H
InChIKeyHUXTVRJMHUECGN-UHFFFAOYSA-N
MW317.32 g/mol
LogP4.02
Rot. Bonds3

About (2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone

(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone (PubChem CID 122652975) has the molecular formula C16H9F2NO2S and a molecular weight of 317.32 g/mol. Its IUPAC name is (2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone
PubChem CID122652975
Molecular FormulaC16H9F2NO2S
Molecular Weight317.32 g/mol
Exact Mass317.03
IUPAC Name(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(-c2cccnc2)s1)c1c(F)ccc(O)c1F
InChIInChI=1S/C16H9F2NO2S/c17-10-3-4-11(20)15(18)14(10)16(21)13-6-5-12(22-13)9-2-1-7-19-8-9/h1-8,20H
InChIKeyHUXTVRJMHUECGN-UHFFFAOYSA-N
XLogP4.02
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone?
The IUPAC name of (2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone (CID 122652975) is (2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone.
What is the SMILES notation for (2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone?
The canonical SMILES for (2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone is O=C(c1ccc(-c2cccnc2)s1)c1c(F)ccc(O)c1F.
What is the InChIKey of (2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone?
The InChIKey is HUXTVRJMHUECGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2NO2S/c17-10-3-4-11(20)15(18)14(10)16(21)13-6-5-12(22-13)9-2-1-7-19-8-9/h1-8,20H.
What are the key properties of (2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone?
(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone has a molecular weight of 317.32 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone is sourced from PubChem (CID 122652975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).