methyl 4-(5-nitro-2-oxo-1-pyridinyl)butanoate

C10H12N2O5 — CID 43378346

IUPACmethyl 4-(5-nitro-2-oxo-1-pyridinyl)butanoate
SMILESCOC(=O)CCCn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C10H12N2O5/c1-17-10(14)3-2-6-11-7-8(12(15)16)4-5-9(11)13/h4-5,7H,2-3,6H2,1H3
InChIKeyVOPGCQSBOUFCMO-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.71
Rot. Bonds5

About methyl 4-(5-nitro-2-oxo-1-pyridinyl)butanoate

methyl 4-(5-nitro-2-oxo-1-pyridinyl)butanoate (PubChem CID 43378346) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is methyl 4-(5-nitro-2-oxo-1-pyridinyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(5-nitro-2-oxo-1-pyridinyl)butanoate
PubChem CID43378346
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Namemethyl 4-(5-nitro-2-oxo-1-pyridinyl)butanoate
SMILESCOC(=O)CCCn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C10H12N2O5/c1-17-10(14)3-2-6-11-7-8(12(15)16)4-5-9(11)13/h4-5,7H,2-3,6H2,1H3
InChIKeyVOPGCQSBOUFCMO-UHFFFAOYSA-N
XLogP0.71
TPSA91.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoate
CID 55026654
3-[methyl-[5-(5-nitro-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid
CID 82031494
1-[3-(4-methoxyphenoxy)propyl]-5-nitropyridin-2-one
CID 38896173
methyl 4-(5-nitro-2,4-dioxopyrimidin-1-yl)butanoate
CID 63799397
5-nitro-1-[3-(propan-2-ylamino)propyl]pyridin-2-one
CID 61387559
methyl 2-methyl-4-(5-nitro-2-oxo-1-pyridinyl)but-2-enoate
CID 77074473
3-[methyl-[3-(5-nitro-2-oxo-1-pyridinyl)propanoyl]amino]propanoic acid
CID 82031281
1-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-one
CID 38895977
3-(5-nitro-2-oxo-1-pyridinyl)propanal
CID 63040006
3-(5-nitro-2-oxo-1-pyridinyl)-N-(2-nitrophenyl)propanamide
CID 52569963
methyl 10-(4-nitrophenoxy)decanoate
CID 100972359
3-[methyl-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
CID 119232404

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-nitro-2-oxo-1-pyridinyl)butanoate?
The IUPAC name of methyl 4-(5-nitro-2-oxo-1-pyridinyl)butanoate (CID 43378346) is methyl 4-(5-nitro-2-oxo-1-pyridinyl)butanoate.
What is the SMILES notation for methyl 4-(5-nitro-2-oxo-1-pyridinyl)butanoate?
The canonical SMILES for methyl 4-(5-nitro-2-oxo-1-pyridinyl)butanoate is COC(=O)CCCn1cc([N+](=O)[O-])ccc1=O.
What is the InChIKey of methyl 4-(5-nitro-2-oxo-1-pyridinyl)butanoate?
The InChIKey is VOPGCQSBOUFCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-17-10(14)3-2-6-11-7-8(12(15)16)4-5-9(11)13/h4-5,7H,2-3,6H2,1H3.
What are the key properties of methyl 4-(5-nitro-2-oxo-1-pyridinyl)butanoate?
methyl 4-(5-nitro-2-oxo-1-pyridinyl)butanoate has a molecular weight of 240.22 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-nitro-2-oxo-1-pyridinyl)butanoate is sourced from PubChem (CID 43378346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).