4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine

C10H3BrClF2N3O3 — CID 107098107

IUPAC4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine
SMILESO=[N+]([O-])c1c(Cl)ncnc1Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C10H3BrClF2N3O3/c11-4-1-5(13)7(14)6(2-4)20-10-8(17(18)19)9(12)15-3-16-10/h1-3H
InChIKeyZYENUABYNWFAEG-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.87
Rot. Bonds3

About 4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine

4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine (PubChem CID 107098107) has the molecular formula C10H3BrClF2N3O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine.

Molecular Properties

Compound Name4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine
PubChem CID107098107
Molecular FormulaC10H3BrClF2N3O3
Molecular Weight366.51 g/mol
Exact Mass364.90
IUPAC Name4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine
SMILESO=[N+]([O-])c1c(Cl)ncnc1Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C10H3BrClF2N3O3/c11-4-1-5(13)7(14)6(2-4)20-10-8(17(18)19)9(12)15-3-16-10/h1-3H
InChIKeyZYENUABYNWFAEG-UHFFFAOYSA-N
XLogP3.87
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-(2,5-difluorophenoxy)-5-nitropyrimidine
CID 55169851
4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine
CID 62101505
4-chloro-6-(3,5-dimethylphenoxy)-5-nitropyrimidine
CID 23477233
4-chloro-6-(2-methyl-5-nitrophenoxy)-5-nitropyrimidine
CID 62102493
5-bromo-4-(5-bromo-2,3-difluorophenoxy)pyrimidine
CID 107099541
4-chloro-6-(3-methylphenoxy)-5-nitropyrimidine
CID 62102169
6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine
CID 80878552
4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-5-nitropyrimidine
CID 62102170
6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine
CID 107102826
6-(2-bromo-4-chlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 38739779
4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-chloro-5-methoxypyrimidine
CID 103483204
4-(5-bromo-2,3-difluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine
CID 107097443

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine?
The IUPAC name of 4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine (CID 107098107) is 4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine.
What is the SMILES notation for 4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine?
The canonical SMILES for 4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine is O=[N+]([O-])c1c(Cl)ncnc1Oc1cc(Br)cc(F)c1F.
What is the InChIKey of 4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine?
The InChIKey is ZYENUABYNWFAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3BrClF2N3O3/c11-4-1-5(13)7(14)6(2-4)20-10-8(17(18)19)9(12)15-3-16-10/h1-3H.
What are the key properties of 4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine?
4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine has a molecular weight of 366.51 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2,3-difluorophenoxy)-6-chloro-5-nitropyrimidine is sourced from PubChem (CID 107098107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).