6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine

C10H10N4O2 — CID 81136870

IUPAC6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine
SMILESCc1ccc([N+](=O)[O-])c(-n2ccc(C)n2)n1
InChIInChI=1S/C10H10N4O2/c1-7-3-4-9(14(15)16)10(11-7)13-6-5-8(2)12-13/h3-6H,1-2H3
InChIKeyGLILIDSMRAPOSX-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.79
Rot. Bonds2

About 6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine

6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine (PubChem CID 81136870) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine.

Molecular Properties

Compound Name6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine
PubChem CID81136870
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine
SMILESCc1ccc([N+](=O)[O-])c(-n2ccc(C)n2)n1
InChIInChI=1S/C10H10N4O2/c1-7-3-4-9(14(15)16)10(11-7)13-6-5-8(2)12-13/h3-6H,1-2H3
InChIKeyGLILIDSMRAPOSX-UHFFFAOYSA-N
XLogP1.79
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine?
The IUPAC name of 6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine (CID 81136870) is 6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine.
What is the SMILES notation for 6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine?
The canonical SMILES for 6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine is Cc1ccc([N+](=O)[O-])c(-n2ccc(C)n2)n1.
What is the InChIKey of 6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine?
The InChIKey is GLILIDSMRAPOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-3-4-9(14(15)16)10(11-7)13-6-5-8(2)12-13/h3-6H,1-2H3.
What are the key properties of 6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine?
6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine has a molecular weight of 218.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine is sourced from PubChem (CID 81136870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).