4-methoxy-2,5-dimethyl-3-nitropyridine

C8H10N2O3 — CID 131848990

IUPAC4-methoxy-2,5-dimethyl-3-nitropyridine
SMILESCOc1c(C)cnc(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O3/c1-5-4-9-6(2)7(10(11)12)8(5)13-3/h4H,1-3H3
InChIKeyRFNLADBBDDAIBT-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.62
Rot. Bonds2

About 4-methoxy-2,5-dimethyl-3-nitropyridine

4-methoxy-2,5-dimethyl-3-nitropyridine (PubChem CID 131848990) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-3-nitropyridine.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-3-nitropyridine
PubChem CID131848990
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-methoxy-2,5-dimethyl-3-nitropyridine
SMILESCOc1c(C)cnc(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O3/c1-5-4-9-6(2)7(10(11)12)8(5)13-3/h4H,1-3H3
InChIKeyRFNLADBBDDAIBT-UHFFFAOYSA-N
XLogP1.62
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-3-nitropyridine?
The IUPAC name of 4-methoxy-2,5-dimethyl-3-nitropyridine (CID 131848990) is 4-methoxy-2,5-dimethyl-3-nitropyridine.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-3-nitropyridine?
The canonical SMILES for 4-methoxy-2,5-dimethyl-3-nitropyridine is COc1c(C)cnc(C)c1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-2,5-dimethyl-3-nitropyridine?
The InChIKey is RFNLADBBDDAIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-4-9-6(2)7(10(11)12)8(5)13-3/h4H,1-3H3.
What are the key properties of 4-methoxy-2,5-dimethyl-3-nitropyridine?
4-methoxy-2,5-dimethyl-3-nitropyridine has a molecular weight of 182.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-3-nitropyridine is sourced from PubChem (CID 131848990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).