6-(4-methylpyrazol-1-yl)-5-nitropyridine-3-carboxylic acid

C10H8N4O4 — CID 81438090

IUPAC6-(4-methylpyrazol-1-yl)-5-nitropyridine-3-carboxylic acid
SMILESCc1cnn(-c2ncc(C(=O)O)cc2[N+](=O)[O-])c1
InChIInChI=1S/C10H8N4O4/c1-6-3-12-13(5-6)9-8(14(17)18)2-7(4-11-9)10(15)16/h2-5H,1H3,(H,15,16)
InChIKeyJPQLIRUFBWNIGI-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.18
Rot. Bonds3

About 6-(4-methylpyrazol-1-yl)-5-nitropyridine-3-carboxylic acid

6-(4-methylpyrazol-1-yl)-5-nitropyridine-3-carboxylic acid (PubChem CID 81438090) has the molecular formula C10H8N4O4 and a molecular weight of 248.20 g/mol. Its IUPAC name is 6-(4-methylpyrazol-1-yl)-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylpyrazol-1-yl)-5-nitropyridine-3-carboxylic acid
PubChem CID81438090
Molecular FormulaC10H8N4O4
Molecular Weight248.20 g/mol
Exact Mass248.05
IUPAC Name6-(4-methylpyrazol-1-yl)-5-nitropyridine-3-carboxylic acid
SMILESCc1cnn(-c2ncc(C(=O)O)cc2[N+](=O)[O-])c1
InChIInChI=1S/C10H8N4O4/c1-6-3-12-13(5-6)9-8(14(17)18)2-7(4-11-9)10(15)16/h2-5H,1H3,(H,15,16)
InChIKeyJPQLIRUFBWNIGI-UHFFFAOYSA-N
XLogP1.18
TPSA111.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(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
6-(4-methoxypiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81438441
6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-nitropyridine-3-carboxylic acid
CID 104967597
5-nitro-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 81442240
5-(4-methylpyrazol-1-yl)-2-nitropyridine-4-carboxylic acid
CID 114194117
6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81437895
6-(tert-butylamino)-5-nitropyridine-3-carboxylic acid
CID 80502721
6-(3-methylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81438369
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-nitropyridine-3-carboxylic acid
CID 81438512
6-methoxy-5-nitropyridine-3-carboxylic acid
CID 79001953
5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 61373410

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpyrazol-1-yl)-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 6-(4-methylpyrazol-1-yl)-5-nitropyridine-3-carboxylic acid (CID 81438090) is 6-(4-methylpyrazol-1-yl)-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-methylpyrazol-1-yl)-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-methylpyrazol-1-yl)-5-nitropyridine-3-carboxylic acid is Cc1cnn(-c2ncc(C(=O)O)cc2[N+](=O)[O-])c1.
What is the InChIKey of 6-(4-methylpyrazol-1-yl)-5-nitropyridine-3-carboxylic acid?
The InChIKey is JPQLIRUFBWNIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4/c1-6-3-12-13(5-6)9-8(14(17)18)2-7(4-11-9)10(15)16/h2-5H,1H3,(H,15,16).
What are the key properties of 6-(4-methylpyrazol-1-yl)-5-nitropyridine-3-carboxylic acid?
6-(4-methylpyrazol-1-yl)-5-nitropyridine-3-carboxylic acid has a molecular weight of 248.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpyrazol-1-yl)-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 81438090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).