5-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-3-carboxylic acid

C12H12N4O5 — CID 81440461

IUPAC5-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-3-carboxylic acid
SMILESCc1nn(C)c(C)c1Oc1ncc(C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C12H12N4O5/c1-6-10(7(2)15(3)14-6)21-11-9(16(19)20)4-8(5-13-11)12(17)18/h4-5H,1-3H3,(H,17,18)
InChIKeyFOVMOMBKPZZYPF-UHFFFAOYSA-N
MW292.25 g/mol
LogP1.83
Rot. Bonds4

About 5-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-3-carboxylic acid

5-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-3-carboxylic acid (PubChem CID 81440461) has the molecular formula C12H12N4O5 and a molecular weight of 292.25 g/mol. Its IUPAC name is 5-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-3-carboxylic acid
PubChem CID81440461
Molecular FormulaC12H12N4O5
Molecular Weight292.25 g/mol
Exact Mass292.08
IUPAC Name5-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-3-carboxylic acid
SMILESCc1nn(C)c(C)c1Oc1ncc(C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C12H12N4O5/c1-6-10(7(2)15(3)14-6)21-11-9(16(19)20)4-8(5-13-11)12(17)18/h4-5H,1-3H3,(H,17,18)
InChIKeyFOVMOMBKPZZYPF-UHFFFAOYSA-N
XLogP1.83
TPSA120.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

6-methoxy-5-nitropyridine-3-carboxylic acid
CID 79001953
6-(3-hydroxypropoxy)-5-nitropyridine-3-carboxylic acid
CID 81437686
6-[(E)-but-2-enoxy]-5-nitropyridine-3-carboxylic acid
CID 81438700
6-butan-2-yloxy-5-nitropyridine-3-carboxylic acid
CID 81437892
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-nitropyridine-3-carboxylic acid
CID 115941916
6-but-3-yn-2-yloxy-5-nitropyridine-3-carboxylic acid
CID 106794598
3-(1,3-dimethyl-4-nitropyrazol-5-yl)oxybenzoic acid
CID 61395592
5-nitro-6-pent-4-enoxypyridine-3-carboxylic acid
CID 81438368
5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid
CID 80632599
6-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 106034578
6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 80502820
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81438362

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-3-carboxylic acid?
The IUPAC name of 5-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-3-carboxylic acid (CID 81440461) is 5-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-3-carboxylic acid?
The canonical SMILES for 5-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-3-carboxylic acid is Cc1nn(C)c(C)c1Oc1ncc(C(=O)O)cc1[N+](=O)[O-].
What is the InChIKey of 5-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-3-carboxylic acid?
The InChIKey is FOVMOMBKPZZYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O5/c1-6-10(7(2)15(3)14-6)21-11-9(16(19)20)4-8(5-13-11)12(17)18/h4-5H,1-3H3,(H,17,18).
What are the key properties of 5-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-3-carboxylic acid?
5-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-3-carboxylic acid has a molecular weight of 292.25 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-3-carboxylic acid is sourced from PubChem (CID 81440461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).