4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine

C10H5BrClN3O3 — CID 103588576

IUPAC4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine
SMILESO=[N+]([O-])c1cc(Br)cc(Oc2ccnc(Cl)n2)c1
InChIInChI=1S/C10H5BrClN3O3/c11-6-3-7(15(16)17)5-8(4-6)18-9-1-2-13-10(12)14-9/h1-5H
InChIKeyNDXXFQUFGMDFBC-UHFFFAOYSA-N
MW330.53 g/mol
LogP3.59
Rot. Bonds3

About 4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine

4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine (PubChem CID 103588576) has the molecular formula C10H5BrClN3O3 and a molecular weight of 330.53 g/mol. Its IUPAC name is 4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine.

Molecular Properties

Compound Name4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine
PubChem CID103588576
Molecular FormulaC10H5BrClN3O3
Molecular Weight330.53 g/mol
Exact Mass328.92
IUPAC Name4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine
SMILESO=[N+]([O-])c1cc(Br)cc(Oc2ccnc(Cl)n2)c1
InChIInChI=1S/C10H5BrClN3O3/c11-6-3-7(15(16)17)5-8(4-6)18-9-1-2-13-10(12)14-9/h1-5H
InChIKeyNDXXFQUFGMDFBC-UHFFFAOYSA-N
XLogP3.59
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.53
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-bromo-5-nitrophenoxy)-6-chloropyridine
CID 103588560
(1S)-1-[2-(3-bromo-5-nitrophenoxy)-4-pyridinyl]ethanamine
CID 103588811
2-bromo-4-(3-nitrophenoxy)pyrimidine
CID 133055918
5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103589277
3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine
CID 103589278
[6-(3-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine
CID 103589022
1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene
CID 169336525
4-(3-bromo-5-nitrophenoxy)-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 103589659
4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80870461
1-bromo-3-[3-(chloromethyl)phenoxy]-5-nitrobenzene
CID 103588938
(1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103588798
2-fluoro-4-(4-nitrophenoxy)pyrimidine
CID 133055231

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine?
The IUPAC name of 4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine (CID 103588576) is 4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine.
What is the SMILES notation for 4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine?
The canonical SMILES for 4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine is O=[N+]([O-])c1cc(Br)cc(Oc2ccnc(Cl)n2)c1.
What is the InChIKey of 4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine?
The InChIKey is NDXXFQUFGMDFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN3O3/c11-6-3-7(15(16)17)5-8(4-6)18-9-1-2-13-10(12)14-9/h1-5H.
What are the key properties of 4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine?
4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine has a molecular weight of 330.53 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine is sourced from PubChem (CID 103588576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).