4-methyl-2-(3-methylpyrazol-1-yl)-5-nitropyridine

C10H10N4O2 — CID 79175720

IUPAC4-methyl-2-(3-methylpyrazol-1-yl)-5-nitropyridine
SMILESCc1ccn(-c2cc(C)c([N+](=O)[O-])cn2)n1
InChIInChI=1S/C10H10N4O2/c1-7-5-10(11-6-9(7)14(15)16)13-4-3-8(2)12-13/h3-6H,1-2H3
InChIKeyRPAHLPXXRVMUTK-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.79
Rot. Bonds2

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

4-methyl-2-(3-methylpyrazol-1-yl)-5-nitropyridine (PubChem CID 79175720) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-methyl-2-(3-methylpyrazol-1-yl)-5-nitropyridine.

Molecular Properties

Compound Name4-methyl-2-(3-methylpyrazol-1-yl)-5-nitropyridine
PubChem CID79175720
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name4-methyl-2-(3-methylpyrazol-1-yl)-5-nitropyridine
SMILESCc1ccn(-c2cc(C)c([N+](=O)[O-])cn2)n1
InChIInChI=1S/C10H10N4O2/c1-7-5-10(11-6-9(7)14(15)16)13-4-3-8(2)12-13/h3-6H,1-2H3
InChIKeyRPAHLPXXRVMUTK-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 4-methyl-2-(3-methylpyrazol-1-yl)-5-nitropyridine?
The IUPAC name of 4-methyl-2-(3-methylpyrazol-1-yl)-5-nitropyridine (CID 79175720) is 4-methyl-2-(3-methylpyrazol-1-yl)-5-nitropyridine.
What is the SMILES notation for 4-methyl-2-(3-methylpyrazol-1-yl)-5-nitropyridine?
The canonical SMILES for 4-methyl-2-(3-methylpyrazol-1-yl)-5-nitropyridine is Cc1ccn(-c2cc(C)c([N+](=O)[O-])cn2)n1.
What is the InChIKey of 4-methyl-2-(3-methylpyrazol-1-yl)-5-nitropyridine?
The InChIKey is RPAHLPXXRVMUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-5-10(11-6-9(7)14(15)16)13-4-3-8(2)12-13/h3-6H,1-2H3.
What are the key properties of 4-methyl-2-(3-methylpyrazol-1-yl)-5-nitropyridine?
4-methyl-2-(3-methylpyrazol-1-yl)-5-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 4-methyl-2-(3-methylpyrazol-1-yl)-5-nitropyridine is sourced from PubChem (CID 79175720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).