2-bromo-4-(3-nitrophenoxy)pyrimidine

C10H6BrN3O3 — CID 133055918

IUPAC2-bromo-4-(3-nitrophenoxy)pyrimidine
SMILESO=[N+]([O-])c1cccc(Oc2ccnc(Br)n2)c1
InChIInChI=1S/C10H6BrN3O3/c11-10-12-5-4-9(13-10)17-8-3-1-2-7(6-8)14(15)16/h1-6H
InChIKeySGZPFTWMAQBDPN-UHFFFAOYSA-N
MW296.08 g/mol
LogP2.94
Rot. Bonds3

About 2-bromo-4-(3-nitrophenoxy)pyrimidine

2-bromo-4-(3-nitrophenoxy)pyrimidine (PubChem CID 133055918) has the molecular formula C10H6BrN3O3 and a molecular weight of 296.08 g/mol. Its IUPAC name is 2-bromo-4-(3-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name2-bromo-4-(3-nitrophenoxy)pyrimidine
PubChem CID133055918
Molecular FormulaC10H6BrN3O3
Molecular Weight296.08 g/mol
Exact Mass294.96
IUPAC Name2-bromo-4-(3-nitrophenoxy)pyrimidine
SMILESO=[N+]([O-])c1cccc(Oc2ccnc(Br)n2)c1
InChIInChI=1S/C10H6BrN3O3/c11-10-12-5-4-9(13-10)17-8-3-1-2-7(6-8)14(15)16/h1-6H
InChIKeySGZPFTWMAQBDPN-UHFFFAOYSA-N
XLogP2.94
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.08
LogP ≤ 52.94
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

4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80870461
3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine
CID 106877947
4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine
CID 103588576
4-fluoro-6-(3-nitrophenoxy)pyrimidine
CID 115416148
3-[(4-nitro-2-pyridinyl)oxy]benzoic acid
CID 55207487
2-(3-nitrophenoxy)-4-(trifluoromethyl)pyrimidine
CID 31535269
3-chloro-6-(3-nitrophenoxy)pyridazine
CID 6400989
2-bromo-5-(3-nitrophenoxy)-1,3,4-thiadiazole
CID 64624692
3-bromo-5-chloro-2-(3-nitrophenoxy)pyridine
CID 114837695
2-bromo-4-(3-nitrophenoxy)benzonitrile
CID 107277002
6-(3-nitrophenoxy)pyridine-2-carboximidamide
CID 64593431
[3-[(4-nitro-2-pyridinyl)oxy]phenyl]methanol
CID 79869655

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-nitrophenoxy)pyrimidine?
The IUPAC name of 2-bromo-4-(3-nitrophenoxy)pyrimidine (CID 133055918) is 2-bromo-4-(3-nitrophenoxy)pyrimidine.
What is the SMILES notation for 2-bromo-4-(3-nitrophenoxy)pyrimidine?
The canonical SMILES for 2-bromo-4-(3-nitrophenoxy)pyrimidine is O=[N+]([O-])c1cccc(Oc2ccnc(Br)n2)c1.
What is the InChIKey of 2-bromo-4-(3-nitrophenoxy)pyrimidine?
The InChIKey is SGZPFTWMAQBDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3O3/c11-10-12-5-4-9(13-10)17-8-3-1-2-7(6-8)14(15)16/h1-6H.
What are the key properties of 2-bromo-4-(3-nitrophenoxy)pyrimidine?
2-bromo-4-(3-nitrophenoxy)pyrimidine has a molecular weight of 296.08 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-nitrophenoxy)pyrimidine is sourced from PubChem (CID 133055918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).