(3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol

C11H8F2N2OS — CID 63813721

IUPAC(3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol
SMILESOCc1cc(F)c(Sc2ncccn2)c(F)c1
InChIInChI=1S/C11H8F2N2OS/c12-8-4-7(6-16)5-9(13)10(8)17-11-14-2-1-3-15-11/h1-5,16H,6H2
InChIKeyZCFORJYCUCZRAG-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.40
Rot. Bonds3

About (3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol

(3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol (PubChem CID 63813721) has the molecular formula C11H8F2N2OS and a molecular weight of 254.26 g/mol. Its IUPAC name is (3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol
PubChem CID63813721
Molecular FormulaC11H8F2N2OS
Molecular Weight254.26 g/mol
Exact Mass254.03
IUPAC Name(3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol
SMILESOCc1cc(F)c(Sc2ncccn2)c(F)c1
InChIInChI=1S/C11H8F2N2OS/c12-8-4-7(6-16)5-9(13)10(8)17-11-14-2-1-3-15-11/h1-5,16H,6H2
InChIKeyZCFORJYCUCZRAG-UHFFFAOYSA-N
XLogP2.40
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-tert-butylsulfanyl-3,5-difluorophenyl)methanol
CID 63813506
[3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol
CID 55240251
2-(2-fluorophenyl)sulfanylpyrimidine
CID 91491747
(3,5-difluoro-4-propylsulfanylphenyl)methanol
CID 63814984
N-[(3-fluoro-4-pyrimidin-2-ylsulfanylphenyl)methyl]propan-2-amine
CID 63805505
2-pyrimidin-2-ylsulfanylpyrimidine
CID 13357482
[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3,5-difluorophenyl]methanol
CID 63812811
[3,5-difluoro-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]methanol
CID 63075487
methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
CID 63835391
(4-chloro-3-pyrimidin-2-ylphenyl)methanol
CID 70522497
[3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol
CID 63814866
[4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol
CID 79887877

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol?
The IUPAC name of (3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol (CID 63813721) is (3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol.
What is the SMILES notation for (3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol?
The canonical SMILES for (3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol is OCc1cc(F)c(Sc2ncccn2)c(F)c1.
What is the InChIKey of (3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol?
The InChIKey is ZCFORJYCUCZRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2OS/c12-8-4-7(6-16)5-9(13)10(8)17-11-14-2-1-3-15-11/h1-5,16H,6H2.
What are the key properties of (3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol?
(3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol has a molecular weight of 254.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol is sourced from PubChem (CID 63813721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).