4-(4-chloro-2-methylpyrimidin-5-yl)phenol

C11H9ClN2O — CID 117260826

IUPAC4-(4-chloro-2-methylpyrimidin-5-yl)phenol
SMILESCc1ncc(-c2ccc(O)cc2)c(Cl)n1
InChIInChI=1S/C11H9ClN2O/c1-7-13-6-10(11(12)14-7)8-2-4-9(15)5-3-8/h2-6,15H,1H3
InChIKeyRAIPUTAZKNWNSS-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.81
Rot. Bonds1

About 4-(4-chloro-2-methylpyrimidin-5-yl)phenol

4-(4-chloro-2-methylpyrimidin-5-yl)phenol (PubChem CID 117260826) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-(4-chloro-2-methylpyrimidin-5-yl)phenol.

Molecular Properties

Compound Name4-(4-chloro-2-methylpyrimidin-5-yl)phenol
PubChem CID117260826
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name4-(4-chloro-2-methylpyrimidin-5-yl)phenol
SMILESCc1ncc(-c2ccc(O)cc2)c(Cl)n1
InChIInChI=1S/C11H9ClN2O/c1-7-13-6-10(11(12)14-7)8-2-4-9(15)5-3-8/h2-6,15H,1H3
InChIKeyRAIPUTAZKNWNSS-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 4-(4-chloro-2-methylpyrimidin-5-yl)phenol?
The IUPAC name of 4-(4-chloro-2-methylpyrimidin-5-yl)phenol (CID 117260826) is 4-(4-chloro-2-methylpyrimidin-5-yl)phenol.
What is the SMILES notation for 4-(4-chloro-2-methylpyrimidin-5-yl)phenol?
The canonical SMILES for 4-(4-chloro-2-methylpyrimidin-5-yl)phenol is Cc1ncc(-c2ccc(O)cc2)c(Cl)n1.
What is the InChIKey of 4-(4-chloro-2-methylpyrimidin-5-yl)phenol?
The InChIKey is RAIPUTAZKNWNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-7-13-6-10(11(12)14-7)8-2-4-9(15)5-3-8/h2-6,15H,1H3.
What are the key properties of 4-(4-chloro-2-methylpyrimidin-5-yl)phenol?
4-(4-chloro-2-methylpyrimidin-5-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 4-(4-chloro-2-methylpyrimidin-5-yl)phenol is sourced from PubChem (CID 117260826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).