6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid

C11H11N5O4 — CID 81438375

IUPAC6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid
SMILESCCn1cc(Nc2ncc(C(=O)O)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C11H11N5O4/c1-2-15-6-8(5-13-15)14-10-9(16(19)20)3-7(4-12-10)11(17)18/h3-6H,2H2,1H3,(H,12,14)(H,17,18)
InChIKeyAKQXRTBFNZEHPZ-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.65
Rot. Bonds5

About 6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid

6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid (PubChem CID 81438375) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is 6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid
PubChem CID81438375
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC Name6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid
SMILESCCn1cc(Nc2ncc(C(=O)O)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C11H11N5O4/c1-2-15-6-8(5-13-15)14-10-9(16(19)20)3-7(4-12-10)11(17)18/h3-6H,2H2,1H3,(H,12,14)(H,17,18)
InChIKeyAKQXRTBFNZEHPZ-UHFFFAOYSA-N
XLogP1.65
TPSA123.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.65
H-Bond Donors ≤ 52
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-(3-bromo-5-methylanilino)-5-nitropyridine-3-carboxylic acid
CID 107584155
6-(3-fluoro-5-methylanilino)-5-nitropyridine-3-carboxylic acid
CID 81446916
methyl 6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-2-carboxylate
CID 114403655
5-nitro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-3-carboxylic acid
CID 81446793
6-(tert-butylamino)-5-nitropyridine-3-carboxylic acid
CID 80502721
6-hydrazinyl-5-nitropyridine-3-carboxylic acid
CID 82862825
N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine
CID 66280045
3-(1-ethylpyrazol-4-yl)oxy-4-nitrobenzoic acid
CID 116800786
1-[(1-ethylpyrazol-4-yl)amino]isoquinoline-4-carboxylic acid
CID 106766574
1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine
CID 63671776
6-[(2-ethoxy-2-methylpropyl)amino]-5-nitropyridine-3-carboxylic acid
CID 114942695
6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid
CID 81437835

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid (CID 81438375) is 6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid is CCn1cc(Nc2ncc(C(=O)O)cc2[N+](=O)[O-])cn1.
What is the InChIKey of 6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid?
The InChIKey is AKQXRTBFNZEHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4/c1-2-15-6-8(5-13-15)14-10-9(16(19)20)3-7(4-12-10)11(17)18/h3-6H,2H2,1H3,(H,12,14)(H,17,18).
What are the key properties of 6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid?
6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid has a molecular weight of 277.24 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 81438375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).