5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine

C11H7BrClN3O3 — CID 107086310

IUPAC5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine
SMILESO=[N+]([O-])c1cc(Cl)ccc1Oc1ncc(CBr)cn1
InChIInChI=1S/C11H7BrClN3O3/c12-4-7-5-14-11(15-6-7)19-10-2-1-8(13)3-9(10)16(17)18/h1-3,5-6H,4H2
InChIKeyGBRJRDTVXSBQNZ-UHFFFAOYSA-N
MW344.55 g/mol
LogP3.73
Rot. Bonds4

About 5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine

5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine (PubChem CID 107086310) has the molecular formula C11H7BrClN3O3 and a molecular weight of 344.55 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine
PubChem CID107086310
Molecular FormulaC11H7BrClN3O3
Molecular Weight344.55 g/mol
Exact Mass342.94
IUPAC Name5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine
SMILESO=[N+]([O-])c1cc(Cl)ccc1Oc1ncc(CBr)cn1
InChIInChI=1S/C11H7BrClN3O3/c12-4-7-5-14-11(15-6-7)19-10-2-1-8(13)3-9(10)16(17)18/h1-3,5-6H,4H2
InChIKeyGBRJRDTVXSBQNZ-UHFFFAOYSA-N
XLogP3.73
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

5-(chloromethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine
CID 113387972
5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine
CID 107086305
2-(4-bromo-2-nitrophenoxy)-5-(chloromethyl)pyrimidine
CID 113387994
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-nitrobenzene
CID 43141653
5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine
CID 107089177
5-(bromomethyl)-2-(4,5-dichloro-2-nitrophenoxy)pyridine
CID 107500369
2-bromo-6-(4-chloro-2-nitrophenoxy)pyridine
CID 63961282
2-chloro-4-(4-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859653
4-(bromomethyl)-1-(3-chloro-4-fluorophenoxy)-2-nitrobenzene
CID 107088558
2-chloro-3-(4-chloro-2-nitrophenoxy)pyridine
CID 12569050
4-(bromomethyl)-1-(5-chloro-2-nitrophenoxy)-2-fluorobenzene
CID 107088334

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine?
The IUPAC name of 5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine (CID 107086310) is 5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine.
What is the SMILES notation for 5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine?
The canonical SMILES for 5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine is O=[N+]([O-])c1cc(Cl)ccc1Oc1ncc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine?
The InChIKey is GBRJRDTVXSBQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O3/c12-4-7-5-14-11(15-6-7)19-10-2-1-8(13)3-9(10)16(17)18/h1-3,5-6H,4H2.
What are the key properties of 5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine?
5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine has a molecular weight of 344.55 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine is sourced from PubChem (CID 107086310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).