6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-nitropyridine-3-carboxylic acid

C11H10N4O5 — CID 81438582

IUPAC6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-nitropyridine-3-carboxylic acid
SMILESCc1cc(CNc2ncc(C(=O)O)cc2[N+](=O)[O-])on1
InChIInChI=1S/C11H10N4O5/c1-6-2-8(20-14-6)5-13-10-9(15(18)19)3-7(4-12-10)11(16)17/h2-4H,5H2,1H3,(H,12,13)(H,16,17)
InChIKeyWALDDKHLNPEEFZ-UHFFFAOYSA-N
MW278.22 g/mol
LogP1.60
Rot. Bonds5

About 6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-nitropyridine-3-carboxylic acid

6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-nitropyridine-3-carboxylic acid (PubChem CID 81438582) has the molecular formula C11H10N4O5 and a molecular weight of 278.22 g/mol. Its IUPAC name is 6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-nitropyridine-3-carboxylic acid
PubChem CID81438582
Molecular FormulaC11H10N4O5
Molecular Weight278.22 g/mol
Exact Mass278.07
IUPAC Name6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-nitropyridine-3-carboxylic acid
SMILESCc1cc(CNc2ncc(C(=O)O)cc2[N+](=O)[O-])on1
InChIInChI=1S/C11H10N4O5/c1-6-2-8(20-14-6)5-13-10-9(15(18)19)3-7(4-12-10)11(16)17/h2-4H,5H2,1H3,(H,12,13)(H,16,17)
InChIKeyWALDDKHLNPEEFZ-UHFFFAOYSA-N
XLogP1.60
TPSA131.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 51.60
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

3-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4-nitrobenzoic acid
CID 82784162
6-[(4-methylphenyl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81442087
6-[(2-methylphenyl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81442374
6-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 106034578
6-(tert-butylamino)-5-nitropyridine-3-carboxylic acid
CID 80502721
6-[(4-chlorophenyl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81442231
6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid
CID 81437835
5-nitro-6-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid
CID 81438718
5-nitro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-3-carboxylic acid
CID 81446793
6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid
CID 106136487
6-[(2-ethoxy-2-methylpropyl)amino]-5-nitropyridine-3-carboxylic acid
CID 114942695
6-hydrazinyl-5-nitropyridine-3-carboxylic acid
CID 82862825

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-nitropyridine-3-carboxylic acid (CID 81438582) is 6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-nitropyridine-3-carboxylic acid is Cc1cc(CNc2ncc(C(=O)O)cc2[N+](=O)[O-])on1.
What is the InChIKey of 6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-nitropyridine-3-carboxylic acid?
The InChIKey is WALDDKHLNPEEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O5/c1-6-2-8(20-14-6)5-13-10-9(15(18)19)3-7(4-12-10)11(16)17/h2-4H,5H2,1H3,(H,12,13)(H,16,17).
What are the key properties of 6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-nitropyridine-3-carboxylic acid?
6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-nitropyridine-3-carboxylic acid has a molecular weight of 278.22 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 81438582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).