2-(4-chloro-6-methylpyrimidin-2-yl)phenol

C11H9ClN2O — CID 747290

IUPAC2-(4-chloro-6-methylpyrimidin-2-yl)phenol
SMILESCc1cc(Cl)nc(-c2ccccc2O)n1
InChIInChI=1S/C11H9ClN2O/c1-7-6-10(12)14-11(13-7)8-4-2-3-5-9(8)15/h2-6,15H,1H3
InChIKeySSJTVFAVNGBQDX-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.81
Rot. Bonds1

About 2-(4-chloro-6-methylpyrimidin-2-yl)phenol

2-(4-chloro-6-methylpyrimidin-2-yl)phenol (PubChem CID 747290) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-(4-chloro-6-methylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name2-(4-chloro-6-methylpyrimidin-2-yl)phenol
PubChem CID747290
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name2-(4-chloro-6-methylpyrimidin-2-yl)phenol
SMILESCc1cc(Cl)nc(-c2ccccc2O)n1
InChIInChI=1S/C11H9ClN2O/c1-7-6-10(12)14-11(13-7)8-4-2-3-5-9(8)15/h2-6,15H,1H3
InChIKeySSJTVFAVNGBQDX-UHFFFAOYSA-N
XLogP2.81
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-methylpyrimidin-2-yl)phenol?
The IUPAC name of 2-(4-chloro-6-methylpyrimidin-2-yl)phenol (CID 747290) is 2-(4-chloro-6-methylpyrimidin-2-yl)phenol.
What is the SMILES notation for 2-(4-chloro-6-methylpyrimidin-2-yl)phenol?
The canonical SMILES for 2-(4-chloro-6-methylpyrimidin-2-yl)phenol is Cc1cc(Cl)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-(4-chloro-6-methylpyrimidin-2-yl)phenol?
The InChIKey is SSJTVFAVNGBQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-7-6-10(12)14-11(13-7)8-4-2-3-5-9(8)15/h2-6,15H,1H3.
What are the key properties of 2-(4-chloro-6-methylpyrimidin-2-yl)phenol?
2-(4-chloro-6-methylpyrimidin-2-yl)phenol has a molecular weight of 220.66 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-methylpyrimidin-2-yl)phenol is sourced from PubChem (CID 747290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).