(3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid

C9H10N2O5 — CID 103547811

IUPAC(3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid
SMILESC[C@H](CC(=O)O)Oc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O5/c1-6(5-8(12)13)16-7-3-2-4-10-9(7)11(14)15/h2-4,6H,5H2,1H3,(H,12,13)/t6-/m1/s1
InChIKeyNGRUPRCQBXHDPT-ZCFIWIBFSA-N
MW226.19 g/mol
LogP1.23
Rot. Bonds5

About (3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid

(3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid (PubChem CID 103547811) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is (3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid.

Molecular Properties

Compound Name(3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid
PubChem CID103547811
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name(3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid
SMILESC[C@H](CC(=O)O)Oc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O5/c1-6(5-8(12)13)16-7-3-2-4-10-9(7)11(14)15/h2-4,6H,5H2,1H3,(H,12,13)/t6-/m1/s1
InChIKeyNGRUPRCQBXHDPT-ZCFIWIBFSA-N
XLogP1.23
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
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

2-nitro-3-(4-phenylbutan-2-yloxy)pyridine
CID 60529491
(2-nitro-3-pyridinyl)oxymethyl 3-methylbutanoate
CID 126825968
2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide
CID 18077545
(3R)-3-(3-methyl-2-nitrophenoxy)butanoic acid
CID 103547932
methyl (2-nitro-3-pyridinyl) carbonate
CID 45116378
2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
CID 18077327
2-[(2-nitro-3-pyridinyl)oxy]butanehydrazide
CID 55213215
(2S,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid
CID 130314077
3-methoxy-2-nitropyridine
CID 556063
2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide
CID 3493079
N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3895625
(2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 40662422

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid?
The IUPAC name of (3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid (CID 103547811) is (3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid.
What is the SMILES notation for (3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid?
The canonical SMILES for (3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid is C[C@H](CC(=O)O)Oc1cccnc1[N+](=O)[O-].
What is the InChIKey of (3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid?
The InChIKey is NGRUPRCQBXHDPT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10N2O5/c1-6(5-8(12)13)16-7-3-2-4-10-9(7)11(14)15/h2-4,6H,5H2,1H3,(H,12,13)/t6-/m1/s1.
What are the key properties of (3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid?
(3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid has a molecular weight of 226.19 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid is sourced from PubChem (CID 103547811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).