6-methyl-2-nitro-3-(2-phenoxyethoxy)pyridine

C14H14N2O4 — CID 44620888

IUPAC6-methyl-2-nitro-3-(2-phenoxyethoxy)pyridine
SMILESCc1ccc(OCCOc2ccccc2)c([N+](=O)[O-])n1
InChIInChI=1S/C14H14N2O4/c1-11-7-8-13(14(15-11)16(17)18)20-10-9-19-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3
InChIKeyNIYZOMKRAISURD-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.76
Rot. Bonds6

About 6-methyl-2-nitro-3-(2-phenoxyethoxy)pyridine

6-methyl-2-nitro-3-(2-phenoxyethoxy)pyridine (PubChem CID 44620888) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-methyl-2-nitro-3-(2-phenoxyethoxy)pyridine.

Molecular Properties

Compound Name6-methyl-2-nitro-3-(2-phenoxyethoxy)pyridine
PubChem CID44620888
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name6-methyl-2-nitro-3-(2-phenoxyethoxy)pyridine
SMILESCc1ccc(OCCOc2ccccc2)c([N+](=O)[O-])n1
InChIInChI=1S/C14H14N2O4/c1-11-7-8-13(14(15-11)16(17)18)20-10-9-19-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3
InChIKeyNIYZOMKRAISURD-UHFFFAOYSA-N
XLogP2.76
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-nitro-3-(2-phenoxyethoxy)pyridine?
The IUPAC name of 6-methyl-2-nitro-3-(2-phenoxyethoxy)pyridine (CID 44620888) is 6-methyl-2-nitro-3-(2-phenoxyethoxy)pyridine.
What is the SMILES notation for 6-methyl-2-nitro-3-(2-phenoxyethoxy)pyridine?
The canonical SMILES for 6-methyl-2-nitro-3-(2-phenoxyethoxy)pyridine is Cc1ccc(OCCOc2ccccc2)c([N+](=O)[O-])n1.
What is the InChIKey of 6-methyl-2-nitro-3-(2-phenoxyethoxy)pyridine?
The InChIKey is NIYZOMKRAISURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-11-7-8-13(14(15-11)16(17)18)20-10-9-19-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3.
What are the key properties of 6-methyl-2-nitro-3-(2-phenoxyethoxy)pyridine?
6-methyl-2-nitro-3-(2-phenoxyethoxy)pyridine has a molecular weight of 274.28 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-nitro-3-(2-phenoxyethoxy)pyridine is sourced from PubChem (CID 44620888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).