4-chloro-6-[4-fluoro-2-(methoxymethyl)phenyl]pyrimidine

C12H10ClFN2O — CID 130232638

IUPAC4-chloro-6-[4-fluoro-2-(methoxymethyl)phenyl]pyrimidine
SMILESCOCc1cc(F)ccc1-c1cc(Cl)ncn1
InChIInChI=1S/C12H10ClFN2O/c1-17-6-8-4-9(14)2-3-10(8)11-5-12(13)16-7-15-11/h2-5,7H,6H2,1H3
InChIKeyDOYBOJVWUZLXJB-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.08
Rot. Bonds3

About 4-chloro-6-[4-fluoro-2-(methoxymethyl)phenyl]pyrimidine

4-chloro-6-[4-fluoro-2-(methoxymethyl)phenyl]pyrimidine (PubChem CID 130232638) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 4-chloro-6-[4-fluoro-2-(methoxymethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[4-fluoro-2-(methoxymethyl)phenyl]pyrimidine
PubChem CID130232638
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name4-chloro-6-[4-fluoro-2-(methoxymethyl)phenyl]pyrimidine
SMILESCOCc1cc(F)ccc1-c1cc(Cl)ncn1
InChIInChI=1S/C12H10ClFN2O/c1-17-6-8-4-9(14)2-3-10(8)11-5-12(13)16-7-15-11/h2-5,7H,6H2,1H3
InChIKeyDOYBOJVWUZLXJB-UHFFFAOYSA-N
XLogP3.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-fluoro-2-(methoxymethyl)phenyl]pyrimidine?
The IUPAC name of 4-chloro-6-[4-fluoro-2-(methoxymethyl)phenyl]pyrimidine (CID 130232638) is 4-chloro-6-[4-fluoro-2-(methoxymethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-[4-fluoro-2-(methoxymethyl)phenyl]pyrimidine?
The canonical SMILES for 4-chloro-6-[4-fluoro-2-(methoxymethyl)phenyl]pyrimidine is COCc1cc(F)ccc1-c1cc(Cl)ncn1.
What is the InChIKey of 4-chloro-6-[4-fluoro-2-(methoxymethyl)phenyl]pyrimidine?
The InChIKey is DOYBOJVWUZLXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-17-6-8-4-9(14)2-3-10(8)11-5-12(13)16-7-15-11/h2-5,7H,6H2,1H3.
What are the key properties of 4-chloro-6-[4-fluoro-2-(methoxymethyl)phenyl]pyrimidine?
4-chloro-6-[4-fluoro-2-(methoxymethyl)phenyl]pyrimidine has a molecular weight of 252.68 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-fluoro-2-(methoxymethyl)phenyl]pyrimidine is sourced from PubChem (CID 130232638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).