(2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methanol

C11H9ClN2OS — CID 63835182

IUPAC(2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methanol
SMILESOCc1c(Cl)cccc1Sc1ccncn1
InChIInChI=1S/C11H9ClN2OS/c12-9-2-1-3-10(8(9)6-15)16-11-4-5-13-7-14-11/h1-5,7,15H,6H2
InChIKeyBLWFZKQZIQZKBG-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.77
Rot. Bonds3

About (2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methanol

(2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methanol (PubChem CID 63835182) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is (2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methanol
PubChem CID63835182
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name(2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methanol
SMILESOCc1c(Cl)cccc1Sc1ccncn1
InChIInChI=1S/C11H9ClN2OS/c12-9-2-1-3-10(8(9)6-15)16-11-4-5-13-7-14-11/h1-5,7,15H,6H2
InChIKeyBLWFZKQZIQZKBG-UHFFFAOYSA-N
XLogP2.77
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine
CID 63813282
4-(3-chloro-2-nitrophenyl)sulfanylpyrimidine
CID 104839266
[2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol
CID 63813275
[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]methanol
CID 63835528
[2-chloro-6-(4-methylphenyl)sulfanylphenyl]methanol
CID 55240222
(1R)-1-(2-fluoro-6-pyrimidin-4-ylsulfanylphenyl)ethanol
CID 55239486
[2-chloro-6-(3-methylphenyl)sulfanylphenyl]methanol
CID 63835095
[2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol
CID 63814768
N-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine
CID 63804931
[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methanol
CID 114320498
(4-chloro-2-pyrimidin-4-ylsulfanylphenyl)methanamine
CID 63696942
1-(2-chloro-6-pyrazin-2-ylsulfanylphenyl)propan-2-amine
CID 63818341

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methanol?
The IUPAC name of (2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methanol (CID 63835182) is (2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methanol.
What is the SMILES notation for (2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methanol?
The canonical SMILES for (2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methanol is OCc1c(Cl)cccc1Sc1ccncn1.
What is the InChIKey of (2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methanol?
The InChIKey is BLWFZKQZIQZKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c12-9-2-1-3-10(8(9)6-15)16-11-4-5-13-7-14-11/h1-5,7,15H,6H2.
What are the key properties of (2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methanol?
(2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methanol has a molecular weight of 252.73 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methanol is sourced from PubChem (CID 63835182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).