4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine

C11H8ClN3O4 — CID 103201625

IUPAC4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine
SMILESCOc1ccc(Oc2cc(Cl)ncn2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H8ClN3O4/c1-18-9-3-2-7(4-8(9)15(16)17)19-11-5-10(12)13-6-14-11/h2-6H,1H3
InChIKeyZSDVYGHRLKXCEN-UHFFFAOYSA-N
MW281.66 g/mol
LogP2.84
Rot. Bonds4

About 4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine

4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine (PubChem CID 103201625) has the molecular formula C11H8ClN3O4 and a molecular weight of 281.66 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine
PubChem CID103201625
Molecular FormulaC11H8ClN3O4
Molecular Weight281.66 g/mol
Exact Mass281.02
IUPAC Name4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine
SMILESCOc1ccc(Oc2cc(Cl)ncn2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H8ClN3O4/c1-18-9-3-2-7(4-8(9)15(16)17)19-11-5-10(12)13-6-14-11/h2-6H,1H3
InChIKeyZSDVYGHRLKXCEN-UHFFFAOYSA-N
XLogP2.84
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 52.84
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-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine
CID 103201633
5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
CID 103202406
2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine
CID 103201617
2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine
CID 166073857
5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103202147
4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine
CID 61277340
5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine
CID 103202398
5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
CID 103202408
4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile
CID 103201670
(1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103201762
4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202386
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201806

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine?
The IUPAC name of 4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine (CID 103201625) is 4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine?
The canonical SMILES for 4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine is COc1ccc(Oc2cc(Cl)ncn2)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine?
The InChIKey is ZSDVYGHRLKXCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O4/c1-18-9-3-2-7(4-8(9)15(16)17)19-11-5-10(12)13-6-14-11/h2-6H,1H3.
What are the key properties of 4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine?
4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine has a molecular weight of 281.66 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine is sourced from PubChem (CID 103201625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).