2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-carboxylic acid

C10H8N4O4 — CID 114089660

IUPAC2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-carboxylic acid
SMILESCc1ccn(-c2cc(C(=O)O)c([N+](=O)[O-])cn2)n1
InChIInChI=1S/C10H8N4O4/c1-6-2-3-13(12-6)9-4-7(10(15)16)8(5-11-9)14(17)18/h2-5H,1H3,(H,15,16)
InChIKeyQWTSWLXNIPZPKV-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.18
Rot. Bonds3

About 2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-carboxylic acid

2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-carboxylic acid (PubChem CID 114089660) has the molecular formula C10H8N4O4 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-carboxylic acid
PubChem CID114089660
Molecular FormulaC10H8N4O4
Molecular Weight248.20 g/mol
Exact Mass248.05
IUPAC Name2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-carboxylic acid
SMILESCc1ccn(-c2cc(C(=O)O)c([N+](=O)[O-])cn2)n1
InChIInChI=1S/C10H8N4O4/c1-6-2-3-13(12-6)9-4-7(10(15)16)8(5-11-9)14(17)18/h2-5H,1H3,(H,15,16)
InChIKeyQWTSWLXNIPZPKV-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

4-methyl-2-(3-methylpyrazol-1-yl)-5-nitropyridine
CID 79175720
5-chloro-2-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid
CID 114916755
2-methoxy-5-nitropyridine-4-carboxylic acid
CID 105451249
6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine
CID 79815731
[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-nitrophenyl)methanone
CID 121034121
[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-nitrophenyl)methanone
CID 122344980
1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole
CID 103080568
4-methyl-2-(3-methylpyrazol-1-yl)benzoic acid
CID 62702386
6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine
CID 81136870
4-methyl-2-(3-methyl-1,2,4-triazol-1-yl)-5-nitropyridine
CID 166607488
3-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid
CID 114288842
1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpyrazole
CID 103594399

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-carboxylic acid?
The IUPAC name of 2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-carboxylic acid (CID 114089660) is 2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-carboxylic acid is Cc1ccn(-c2cc(C(=O)O)c([N+](=O)[O-])cn2)n1.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-carboxylic acid?
The InChIKey is QWTSWLXNIPZPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4/c1-6-2-3-13(12-6)9-4-7(10(15)16)8(5-11-9)14(17)18/h2-5H,1H3,(H,15,16).
What are the key properties of 2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-carboxylic acid?
2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-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 2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-carboxylic acid is sourced from PubChem (CID 114089660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).