ethyl (2R)-2-(2-methyl-6-nitro-3-pyridinyl)propanoate

C11H14N2O4 — CID 124673288

IUPACethyl (2R)-2-(2-methyl-6-nitro-3-pyridinyl)propanoate
SMILESCCOC(=O)[C@H](C)c1ccc([N+](=O)[O-])nc1C
InChIInChI=1S/C11H14N2O4/c1-4-17-11(14)7(2)9-5-6-10(13(15)16)12-8(9)3/h5-7H,4H2,1-3H3/t7-/m1/s1
InChIKeyJYJGAFFENPIKPF-SSDOTTSWSA-N
MW238.24 g/mol
LogP1.96
Rot. Bonds4

About ethyl (2R)-2-(2-methyl-6-nitro-3-pyridinyl)propanoate

ethyl (2R)-2-(2-methyl-6-nitro-3-pyridinyl)propanoate (PubChem CID 124673288) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl (2R)-2-(2-methyl-6-nitro-3-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(2-methyl-6-nitro-3-pyridinyl)propanoate
PubChem CID124673288
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Nameethyl (2R)-2-(2-methyl-6-nitro-3-pyridinyl)propanoate
SMILESCCOC(=O)[C@H](C)c1ccc([N+](=O)[O-])nc1C
InChIInChI=1S/C11H14N2O4/c1-4-17-11(14)7(2)9-5-6-10(13(15)16)12-8(9)3/h5-7H,4H2,1-3H3/t7-/m1/s1
InChIKeyJYJGAFFENPIKPF-SSDOTTSWSA-N
XLogP1.96
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.96
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-O-tert-butyl 1-O-ethyl (2R)-2-(2-methyl-6-nitro-3-pyridinyl)propanedioate
CID 129408312
3-O-tert-butyl 1-O-ethyl 2-(2-methyl-6-nitro-3-pyridinyl)propanedioate
CID 86693020
ethyl 3-(difluoromethyl)-6-nitropyridine-2-carboxylate
CID 134670408
ethyl 2-(2-amino-3-nitrophenyl)propanoate
CID 106987675
ethyl 2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]propanoate
CID 67517354
ethyl (2R)-2-(2-methyl-4-nitroimidazol-1-yl)propanoate
CID 15163434
3-(1-ethoxy-1-oxopropan-2-yl)-5-fluoro-2-nitrobenzoic acid
CID 70514785
ethyl 2-(2,3,4-trifluorophenyl)propanoate
CID 117047580
ethyl 2,3-dihydroxy-3-(2-methyl-4-nitrophenyl)propanoate
CID 171866574
ethyl 2-(2-ethylphenyl)propanoate
CID 105459112
diethyl 2-(4-methyl-2-nitrophenyl)propanedioate
CID 15892661
ethyl 2-(2-methylphenyl)-2-(4-nitroimidazol-1-yl)acetate
CID 20711237

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(2-methyl-6-nitro-3-pyridinyl)propanoate?
The IUPAC name of ethyl (2R)-2-(2-methyl-6-nitro-3-pyridinyl)propanoate (CID 124673288) is ethyl (2R)-2-(2-methyl-6-nitro-3-pyridinyl)propanoate.
What is the SMILES notation for ethyl (2R)-2-(2-methyl-6-nitro-3-pyridinyl)propanoate?
The canonical SMILES for ethyl (2R)-2-(2-methyl-6-nitro-3-pyridinyl)propanoate is CCOC(=O)[C@H](C)c1ccc([N+](=O)[O-])nc1C.
What is the InChIKey of ethyl (2R)-2-(2-methyl-6-nitro-3-pyridinyl)propanoate?
The InChIKey is JYJGAFFENPIKPF-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-4-17-11(14)7(2)9-5-6-10(13(15)16)12-8(9)3/h5-7H,4H2,1-3H3/t7-/m1/s1.
What are the key properties of ethyl (2R)-2-(2-methyl-6-nitro-3-pyridinyl)propanoate?
ethyl (2R)-2-(2-methyl-6-nitro-3-pyridinyl)propanoate has a molecular weight of 238.24 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(2-methyl-6-nitro-3-pyridinyl)propanoate is sourced from PubChem (CID 124673288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).