5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine

C11H8IN3O4 — CID 103202147

IUPAC5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine
SMILESCOc1ccc(Oc2ncc(I)cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H8IN3O4/c1-18-10-3-2-8(4-9(10)15(16)17)19-11-13-5-7(12)6-14-11/h2-6H,1H3
InChIKeySTMPHVRXGRQYFH-UHFFFAOYSA-N
MW373.11 g/mol
LogP2.79
Rot. Bonds4

About 5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine

5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine (PubChem CID 103202147) has the molecular formula C11H8IN3O4 and a molecular weight of 373.11 g/mol. Its IUPAC name is 5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine
PubChem CID103202147
Molecular FormulaC11H8IN3O4
Molecular Weight373.11 g/mol
Exact Mass372.96
IUPAC Name5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine
SMILESCOc1ccc(Oc2ncc(I)cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H8IN3O4/c1-18-10-3-2-8(4-9(10)15(16)17)19-11-13-5-7(12)6-14-11/h2-6H,1H3
InChIKeySTMPHVRXGRQYFH-UHFFFAOYSA-N
XLogP2.79
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.11
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202380
2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine
CID 103201633
3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine
CID 103201647
4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile
CID 103201670
4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103201625
(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
2-(4-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine
CID 166073857
5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine
CID 103202398
4-(4-methoxy-3-nitrophenoxy)benzoic acid
CID 103201557
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone
CID 103201761
5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine
CID 107089424

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine?
The IUPAC name of 5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine (CID 103202147) is 5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine.
What is the SMILES notation for 5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine?
The canonical SMILES for 5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine is COc1ccc(Oc2ncc(I)cn2)cc1[N+](=O)[O-].
What is the InChIKey of 5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine?
The InChIKey is STMPHVRXGRQYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8IN3O4/c1-18-10-3-2-8(4-9(10)15(16)17)19-11-13-5-7(12)6-14-11/h2-6H,1H3.
What are the key properties of 5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine?
5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine has a molecular weight of 373.11 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine is sourced from PubChem (CID 103202147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).