3-(4-chloro-5-fluoro-6-methylpyrimidin-2-yl)phenol

C11H8ClFN2O — CID 66000633

IUPAC3-(4-chloro-5-fluoro-6-methylpyrimidin-2-yl)phenol
SMILESCc1nc(-c2cccc(O)c2)nc(Cl)c1F
InChIInChI=1S/C11H8ClFN2O/c1-6-9(13)10(12)15-11(14-6)7-3-2-4-8(16)5-7/h2-5,16H,1H3
InChIKeyHGFNQTTZGFWPNY-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.95
Rot. Bonds1

About 3-(4-chloro-5-fluoro-6-methylpyrimidin-2-yl)phenol

3-(4-chloro-5-fluoro-6-methylpyrimidin-2-yl)phenol (PubChem CID 66000633) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 3-(4-chloro-5-fluoro-6-methylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(4-chloro-5-fluoro-6-methylpyrimidin-2-yl)phenol
PubChem CID66000633
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name3-(4-chloro-5-fluoro-6-methylpyrimidin-2-yl)phenol
SMILESCc1nc(-c2cccc(O)c2)nc(Cl)c1F
InChIInChI=1S/C11H8ClFN2O/c1-6-9(13)10(12)15-11(14-6)7-3-2-4-8(16)5-7/h2-5,16H,1H3
InChIKeyHGFNQTTZGFWPNY-UHFFFAOYSA-N
XLogP2.95
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-fluoro-6-methylpyrimidin-2-yl)phenol?
The IUPAC name of 3-(4-chloro-5-fluoro-6-methylpyrimidin-2-yl)phenol (CID 66000633) is 3-(4-chloro-5-fluoro-6-methylpyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(4-chloro-5-fluoro-6-methylpyrimidin-2-yl)phenol?
The canonical SMILES for 3-(4-chloro-5-fluoro-6-methylpyrimidin-2-yl)phenol is Cc1nc(-c2cccc(O)c2)nc(Cl)c1F.
What is the InChIKey of 3-(4-chloro-5-fluoro-6-methylpyrimidin-2-yl)phenol?
The InChIKey is HGFNQTTZGFWPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c1-6-9(13)10(12)15-11(14-6)7-3-2-4-8(16)5-7/h2-5,16H,1H3.
What are the key properties of 3-(4-chloro-5-fluoro-6-methylpyrimidin-2-yl)phenol?
3-(4-chloro-5-fluoro-6-methylpyrimidin-2-yl)phenol has a molecular weight of 238.65 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-fluoro-6-methylpyrimidin-2-yl)phenol is sourced from PubChem (CID 66000633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).