2-chloro-5-(5-chloro-2,6-dimethylpyrimidin-4-yl)-4-fluorophenol

C12H9Cl2FN2O — CID 142043385

IUPAC2-chloro-5-(5-chloro-2,6-dimethylpyrimidin-4-yl)-4-fluorophenol
SMILESCc1nc(C)c(Cl)c(-c2cc(O)c(Cl)cc2F)n1
InChIInChI=1S/C12H9Cl2FN2O/c1-5-11(14)12(17-6(2)16-5)7-3-10(18)8(13)4-9(7)15/h3-4,18H,1-2H3
InChIKeyDLFCNOTTZWKNIW-UHFFFAOYSA-N
MW287.12 g/mol
LogP3.91
Rot. Bonds1

About 2-chloro-5-(5-chloro-2,6-dimethylpyrimidin-4-yl)-4-fluorophenol

2-chloro-5-(5-chloro-2,6-dimethylpyrimidin-4-yl)-4-fluorophenol (PubChem CID 142043385) has the molecular formula C12H9Cl2FN2O and a molecular weight of 287.12 g/mol. Its IUPAC name is 2-chloro-5-(5-chloro-2,6-dimethylpyrimidin-4-yl)-4-fluorophenol.

Molecular Properties

Compound Name2-chloro-5-(5-chloro-2,6-dimethylpyrimidin-4-yl)-4-fluorophenol
PubChem CID142043385
Molecular FormulaC12H9Cl2FN2O
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name2-chloro-5-(5-chloro-2,6-dimethylpyrimidin-4-yl)-4-fluorophenol
SMILESCc1nc(C)c(Cl)c(-c2cc(O)c(Cl)cc2F)n1
InChIInChI=1S/C12H9Cl2FN2O/c1-5-11(14)12(17-6(2)16-5)7-3-10(18)8(13)4-9(7)15/h3-4,18H,1-2H3
InChIKeyDLFCNOTTZWKNIW-UHFFFAOYSA-N
XLogP3.91
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-chloro-2,6-dimethylpyrimidin-4-yl)-4-fluorophenol?
The IUPAC name of 2-chloro-5-(5-chloro-2,6-dimethylpyrimidin-4-yl)-4-fluorophenol (CID 142043385) is 2-chloro-5-(5-chloro-2,6-dimethylpyrimidin-4-yl)-4-fluorophenol.
What is the SMILES notation for 2-chloro-5-(5-chloro-2,6-dimethylpyrimidin-4-yl)-4-fluorophenol?
The canonical SMILES for 2-chloro-5-(5-chloro-2,6-dimethylpyrimidin-4-yl)-4-fluorophenol is Cc1nc(C)c(Cl)c(-c2cc(O)c(Cl)cc2F)n1.
What is the InChIKey of 2-chloro-5-(5-chloro-2,6-dimethylpyrimidin-4-yl)-4-fluorophenol?
The InChIKey is DLFCNOTTZWKNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O/c1-5-11(14)12(17-6(2)16-5)7-3-10(18)8(13)4-9(7)15/h3-4,18H,1-2H3.
What are the key properties of 2-chloro-5-(5-chloro-2,6-dimethylpyrimidin-4-yl)-4-fluorophenol?
2-chloro-5-(5-chloro-2,6-dimethylpyrimidin-4-yl)-4-fluorophenol has a molecular weight of 287.12 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-chloro-2,6-dimethylpyrimidin-4-yl)-4-fluorophenol is sourced from PubChem (CID 142043385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).