2-(3-bromo-5-fluorophenyl)-4-chloro-6-(methoxymethyl)pyrimidine

C12H9BrClFN2O — CID 66423422

IUPAC2-(3-bromo-5-fluorophenyl)-4-chloro-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(-c2cc(F)cc(Br)c2)n1
InChIInChI=1S/C12H9BrClFN2O/c1-18-6-10-5-11(14)17-12(16-10)7-2-8(13)4-9(15)3-7/h2-5H,6H2,1H3
InChIKeyVWRHONHMXSNVOV-UHFFFAOYSA-N
MW331.57 g/mol
LogP3.85
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-4-chloro-6-(methoxymethyl)pyrimidine

2-(3-bromo-5-fluorophenyl)-4-chloro-6-(methoxymethyl)pyrimidine (PubChem CID 66423422) has the molecular formula C12H9BrClFN2O and a molecular weight of 331.57 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-4-chloro-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-4-chloro-6-(methoxymethyl)pyrimidine
PubChem CID66423422
Molecular FormulaC12H9BrClFN2O
Molecular Weight331.57 g/mol
Exact Mass329.96
IUPAC Name2-(3-bromo-5-fluorophenyl)-4-chloro-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(-c2cc(F)cc(Br)c2)n1
InChIInChI=1S/C12H9BrClFN2O/c1-18-6-10-5-11(14)17-12(16-10)7-2-8(13)4-9(15)3-7/h2-5H,6H2,1H3
InChIKeyVWRHONHMXSNVOV-UHFFFAOYSA-N
XLogP3.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.57
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-4-chloro-6-(methoxymethyl)pyrimidine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-4-chloro-6-(methoxymethyl)pyrimidine (CID 66423422) is 2-(3-bromo-5-fluorophenyl)-4-chloro-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-4-chloro-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-4-chloro-6-(methoxymethyl)pyrimidine is COCc1cc(Cl)nc(-c2cc(F)cc(Br)c2)n1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-4-chloro-6-(methoxymethyl)pyrimidine?
The InChIKey is VWRHONHMXSNVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O/c1-18-6-10-5-11(14)17-12(16-10)7-2-8(13)4-9(15)3-7/h2-5H,6H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-4-chloro-6-(methoxymethyl)pyrimidine?
2-(3-bromo-5-fluorophenyl)-4-chloro-6-(methoxymethyl)pyrimidine has a molecular weight of 331.57 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-4-chloro-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 66423422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).