methoxy-oxo-(4-propan-2-yloxy-3-pyridinyl)azanium

C9H13N2O3+ — CID 123423959

IUPACmethoxy-oxo-(4-propan-2-yloxy-3-pyridinyl)azanium
SMILESCO[N+](=O)c1cnccc1OC(C)C
InChIInChI=1S/C9H13N2O3/c1-7(2)14-9-4-5-10-6-8(9)11(12)13-3/h4-7H,1-3H3/q+1
InChIKeyOCTLDBOMLMYJAD-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.84
Rot. Bonds4

About methoxy-oxo-(4-propan-2-yloxy-3-pyridinyl)azanium

methoxy-oxo-(4-propan-2-yloxy-3-pyridinyl)azanium (PubChem CID 123423959) has the molecular formula C9H13N2O3+ and a molecular weight of 197.21 g/mol. Its IUPAC name is methoxy-oxo-(4-propan-2-yloxy-3-pyridinyl)azanium.

Molecular Properties

Compound Namemethoxy-oxo-(4-propan-2-yloxy-3-pyridinyl)azanium
PubChem CID123423959
Molecular FormulaC9H13N2O3+
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Namemethoxy-oxo-(4-propan-2-yloxy-3-pyridinyl)azanium
SMILESCO[N+](=O)c1cnccc1OC(C)C
InChIInChI=1S/C9H13N2O3/c1-7(2)14-9-4-5-10-6-8(9)11(12)13-3/h4-7H,1-3H3/q+1
InChIKeyOCTLDBOMLMYJAD-UHFFFAOYSA-N
XLogP1.84
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-propan-2-yloxypyridine
CID 167334924
methyl 4-propan-2-yloxypyridine-3-carboxylate
CID 132587581
4-ethyl-3-propan-2-yloxypyridine
CID 123491232
4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine
CID 177172347
methoxymethane;4-methoxy-3-nitropyridine
CID 155689380
2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one
CID 84676126
2-(4-propan-2-yloxy-3-pyridinyl)propan-2-ol
CID 84666329
N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine
CID 81254870
2-(3-propan-2-yloxy-4-pyridinyl)propanoic acid
CID 83884297
3-nitro-5-propan-2-yloxypyridin-4-amine
CID 130057896
3-propan-2-yloxypyridine-4-carbonitrile
CID 91623739
3-pentyl-4-propan-2-yloxypyridine
CID 54537415

Frequently Asked Questions

What is the IUPAC name of methoxy-oxo-(4-propan-2-yloxy-3-pyridinyl)azanium?
The IUPAC name of methoxy-oxo-(4-propan-2-yloxy-3-pyridinyl)azanium (CID 123423959) is methoxy-oxo-(4-propan-2-yloxy-3-pyridinyl)azanium.
What is the SMILES notation for methoxy-oxo-(4-propan-2-yloxy-3-pyridinyl)azanium?
The canonical SMILES for methoxy-oxo-(4-propan-2-yloxy-3-pyridinyl)azanium is CO[N+](=O)c1cnccc1OC(C)C.
What is the InChIKey of methoxy-oxo-(4-propan-2-yloxy-3-pyridinyl)azanium?
The InChIKey is OCTLDBOMLMYJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O3/c1-7(2)14-9-4-5-10-6-8(9)11(12)13-3/h4-7H,1-3H3/q+1.
What are the key properties of methoxy-oxo-(4-propan-2-yloxy-3-pyridinyl)azanium?
methoxy-oxo-(4-propan-2-yloxy-3-pyridinyl)azanium has a molecular weight of 197.21 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-oxo-(4-propan-2-yloxy-3-pyridinyl)azanium is sourced from PubChem (CID 123423959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).