4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one

C11H13ClN2O4 — CID 124853578

IUPAC4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one
SMILESCc1cc(Cl)c([N+](=O)[O-])c(=O)n1C[C@H]1CCCO1
InChIInChI=1S/C11H13ClN2O4/c1-7-5-9(12)10(14(16)17)11(15)13(7)6-8-3-2-4-18-8/h5,8H,2-4,6H2,1H3/t8-/m1/s1
InChIKeyVZTIKSSIZXVLOY-MRVPVSSYSA-N
MW272.69 g/mol
LogP1.90
Rot. Bonds3

About 4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one

4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one (PubChem CID 124853578) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is 4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one
PubChem CID124853578
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Name4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one
SMILESCc1cc(Cl)c([N+](=O)[O-])c(=O)n1C[C@H]1CCCO1
InChIInChI=1S/C11H13ClN2O4/c1-7-5-9(12)10(14(16)17)11(15)13(7)6-8-3-2-4-18-8/h5,8H,2-4,6H2,1H3/t8-/m1/s1
InChIKeyVZTIKSSIZXVLOY-MRVPVSSYSA-N
XLogP1.90
TPSA74.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 51.90
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

3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82466705
4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 112757079
17-(4-chloro-3-nitrophenyl)-14-methyl-13-[[(2R)-oxolan-2-yl]methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 40589210
[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 3548903
6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82524714
1-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carbonitrile
CID 8632336
N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91822604
4,6-dimethyl-1-(oxolan-2-ylmethyl)-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one
CID 82525591
N-(2-chloro-4-nitrophenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025570
[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-chloro-2-nitrobenzoate
CID 2653769
N-(4-chloro-3-nitrophenyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
CID 46812874
[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 4-nitrobenzoate
CID 2653760

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one?
The IUPAC name of 4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one (CID 124853578) is 4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one is Cc1cc(Cl)c([N+](=O)[O-])c(=O)n1C[C@H]1CCCO1.
What is the InChIKey of 4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one?
The InChIKey is VZTIKSSIZXVLOY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-7-5-9(12)10(14(16)17)11(15)13(7)6-8-3-2-4-18-8/h5,8H,2-4,6H2,1H3/t8-/m1/s1.
What are the key properties of 4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one?
4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one has a molecular weight of 272.69 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 124853578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).