4-(4-bromo-2-chloro-5-fluorophenoxy)-2-chloro-6-methylpyrimidine

C11H6BrCl2FN2O — CID 114270913

IUPAC4-(4-bromo-2-chloro-5-fluorophenoxy)-2-chloro-6-methylpyrimidine
SMILESCc1cc(Oc2cc(F)c(Br)cc2Cl)nc(Cl)n1
InChIInChI=1S/C11H6BrCl2FN2O/c1-5-2-10(17-11(14)16-5)18-9-4-8(15)6(12)3-7(9)13/h2-4H,1H3
InChIKeyUBMALXWLTIOQRN-UHFFFAOYSA-N
MW351.99 g/mol
LogP4.79
Rot. Bonds2

About 4-(4-bromo-2-chloro-5-fluorophenoxy)-2-chloro-6-methylpyrimidine

4-(4-bromo-2-chloro-5-fluorophenoxy)-2-chloro-6-methylpyrimidine (PubChem CID 114270913) has the molecular formula C11H6BrCl2FN2O and a molecular weight of 351.99 g/mol. Its IUPAC name is 4-(4-bromo-2-chloro-5-fluorophenoxy)-2-chloro-6-methylpyrimidine.

Molecular Properties

Compound Name4-(4-bromo-2-chloro-5-fluorophenoxy)-2-chloro-6-methylpyrimidine
PubChem CID114270913
Molecular FormulaC11H6BrCl2FN2O
Molecular Weight351.99 g/mol
Exact Mass349.90
IUPAC Name4-(4-bromo-2-chloro-5-fluorophenoxy)-2-chloro-6-methylpyrimidine
SMILESCc1cc(Oc2cc(F)c(Br)cc2Cl)nc(Cl)n1
InChIInChI=1S/C11H6BrCl2FN2O/c1-5-2-10(17-11(14)16-5)18-9-4-8(15)6(12)3-7(9)13/h2-4H,1H3
InChIKeyUBMALXWLTIOQRN-UHFFFAOYSA-N
XLogP4.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.99
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-Dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile
CID 911258
2-[4-(2,4-Dichlorophenoxy)-6-methylpyrimidin-2-yl]oxyacetonitrile
CID 1627975
4-(4-Bromophenoxy)-6-methylpyrimidin-2-amine
CID 24248957
4-(2,4-Dichlorophenoxy)-6-methylpyrimidin-2-amine
CID 112724303
4-(2,3-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 3756228
4-(2,6-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 4669089
4-(2-Chlorophenoxy)-5-fluoro-6-methylpyrimidine
CID 22897540
4-(2-Chlorophenoxy)-2,6-difluoropyrimidine
CID 153726151
4-(4-Bromo-2,6-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 157040456
4-(4-Bromo-2,6-difluorophenoxy)-6-methylpyrimidin-2-amine
CID 164172060
2-(4-Bromo-2-chloro-6-fluorophenoxy)-4-methylpyrimidine
CID 172624640
4-(4-Bromophenoxy)-6-chloropyrimidin-2-amine
CID 806133

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-chloro-5-fluorophenoxy)-2-chloro-6-methylpyrimidine?
The IUPAC name of 4-(4-bromo-2-chloro-5-fluorophenoxy)-2-chloro-6-methylpyrimidine (CID 114270913) is 4-(4-bromo-2-chloro-5-fluorophenoxy)-2-chloro-6-methylpyrimidine.
What is the SMILES notation for 4-(4-bromo-2-chloro-5-fluorophenoxy)-2-chloro-6-methylpyrimidine?
The canonical SMILES for 4-(4-bromo-2-chloro-5-fluorophenoxy)-2-chloro-6-methylpyrimidine is Cc1cc(Oc2cc(F)c(Br)cc2Cl)nc(Cl)n1.
What is the InChIKey of 4-(4-bromo-2-chloro-5-fluorophenoxy)-2-chloro-6-methylpyrimidine?
The InChIKey is UBMALXWLTIOQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2FN2O/c1-5-2-10(17-11(14)16-5)18-9-4-8(15)6(12)3-7(9)13/h2-4H,1H3.
What are the key properties of 4-(4-bromo-2-chloro-5-fluorophenoxy)-2-chloro-6-methylpyrimidine?
4-(4-bromo-2-chloro-5-fluorophenoxy)-2-chloro-6-methylpyrimidine has a molecular weight of 351.99 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-chloro-5-fluorophenoxy)-2-chloro-6-methylpyrimidine is sourced from PubChem (CID 114270913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).