1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one

C11H14N2O4 — CID 115323440

IUPAC1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one
SMILESCCCC(=O)Cc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O4/c1-3-4-8(14)7-9-10(13(15)16)5-6-11(12-9)17-2/h5-6H,3-4,7H2,1-2H3
InChIKeyYGJZROFMWZMDNI-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.91
Rot. Bonds6

About 1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one

1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one (PubChem CID 115323440) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one.

Molecular Properties

Compound Name1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one
PubChem CID115323440
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one
SMILESCCCC(=O)Cc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O4/c1-3-4-8(14)7-9-10(13(15)16)5-6-11(12-9)17-2/h5-6H,3-4,7H2,1-2H3
InChIKeyYGJZROFMWZMDNI-UHFFFAOYSA-N
XLogP1.91
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate
CID 12036409
N-(6-methoxy-3-nitro-2-pyridinyl)pentanamide
CID 19759381
1-(6-methoxy-3-nitro-2-pyridinyl)-N-propylbutan-2-amine
CID 115323472
2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine
CID 115323531
1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol
CID 115323510
6-methoxy-N-methyl-3-nitro-N-propylpyridin-2-amine
CID 58903907
methyl 3-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]propanoate
CID 142411399
1-(4,6-dimethoxypyrimidin-2-yl)pentan-2-one
CID 115355584
CID 157299402
CID 157299402
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid
CID 113286704
1-[6-(cyclopropylmethoxy)-3-nitro-2-pyridinyl]propan-2-one
CID 150721115
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
CID 113286764

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one?
The IUPAC name of 1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one (CID 115323440) is 1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one.
What is the SMILES notation for 1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one?
The canonical SMILES for 1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one is CCCC(=O)Cc1nc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one?
The InChIKey is YGJZROFMWZMDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-4-8(14)7-9-10(13(15)16)5-6-11(12-9)17-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one?
1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one has a molecular weight of 238.24 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one is sourced from PubChem (CID 115323440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).