4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine

C11H6BrClFN3O4 — CID 103483204

IUPAC4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine
SMILESCOc1c(Cl)ncnc1Oc1cc(F)c(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C11H6BrClFN3O4/c1-20-9-10(13)15-4-16-11(9)21-8-3-6(14)5(12)2-7(8)17(18)19/h2-4H,1H3
InChIKeyKOKXSKWOJWEVMP-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.74
Rot. Bonds4

About 4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine

4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine (PubChem CID 103483204) has the molecular formula C11H6BrClFN3O4 and a molecular weight of 378.54 g/mol. Its IUPAC name is 4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine.

Molecular Properties

Compound Name4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine
PubChem CID103483204
Molecular FormulaC11H6BrClFN3O4
Molecular Weight378.54 g/mol
Exact Mass376.92
IUPAC Name4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine
SMILESCOc1c(Cl)ncnc1Oc1cc(F)c(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C11H6BrClFN3O4/c1-20-9-10(13)15-4-16-11(9)21-8-3-6(14)5(12)2-7(8)17(18)19/h2-4H,1H3
InChIKeyKOKXSKWOJWEVMP-UHFFFAOYSA-N
XLogP3.74
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-5-fluoro-2-nitrophenoxy)-3-chloro-5,6-dimethylpyrazine
CID 103483229
5-bromo-4-(4-bromo-5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one
CID 103483958
6-(4-bromo-5-fluoro-2-nitrophenoxy)-N-methylpyrimidin-4-amine
CID 103484542
2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-(chloromethyl)-3-methylpyridine
CID 103483413
2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole
CID 103483415
6-(4-bromo-5-fluoro-2-nitrophenoxy)-N-ethylpyrimidin-4-amine
CID 103484581
1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene
CID 118852889
(1R)-1-[6-(4-bromo-5-fluoro-2-nitrophenoxy)-3-pyridinyl]ethanol
CID 103483375
3-(4-bromo-5-fluoro-2-nitrophenoxy)pyridazine-4-carbonitrile
CID 103483234
1-(4-bromo-5-fluoro-2-nitrophenoxy)butan-2-one
CID 103483442
1-bromo-4-(4-bromo-3-methylphenoxy)-2-fluoro-5-nitrobenzene
CID 83140191
4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine
CID 107098107

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine?
The IUPAC name of 4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine (CID 103483204) is 4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine.
What is the SMILES notation for 4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine?
The canonical SMILES for 4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine is COc1c(Cl)ncnc1Oc1cc(F)c(Br)cc1[N+](=O)[O-].
What is the InChIKey of 4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine?
The InChIKey is KOKXSKWOJWEVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClFN3O4/c1-20-9-10(13)15-4-16-11(9)21-8-3-6(14)5(12)2-7(8)17(18)19/h2-4H,1H3.
What are the key properties of 4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine?
4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine has a molecular weight of 378.54 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine is sourced from PubChem (CID 103483204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).