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

C10H10N4O3 — CID 100731820

IUPAC5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine
SMILESCc1cnc(Oc2cnn(C)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O3/c1-7-3-9(14(15)16)10(11-4-7)17-8-5-12-13(2)6-8/h3-6H,1-2H3
InChIKeyCHMKEWLMLFILDD-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.82
Rot. Bonds3

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

5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine (PubChem CID 100731820) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine.

Molecular Properties

Compound Name5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine
PubChem CID100731820
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine
SMILESCc1cnc(Oc2cnn(C)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O3/c1-7-3-9(14(15)16)10(11-4-7)17-8-5-12-13(2)6-8/h3-6H,1-2H3
InChIKeyCHMKEWLMLFILDD-UHFFFAOYSA-N
XLogP1.82
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.82
H-Bond Donors ≤ 50
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

5-methyl-3-nitro-2-phenoxypyridine
CID 143610713
2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine
CID 66279586
4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole
CID 154676943
4-methyl-3-(1-methylpyrazol-4-yl)oxy-5-nitrobenzoic acid
CID 116792584
5-methyl-3-nitro-2-propan-2-yloxypyridine
CID 124704568
methyl 4-[(5-methyl-3-nitro-2-pyridinyl)oxy]benzoate
CID 66277880
[6-(1-methylpyrazol-4-yl)oxy-5-nitro-2-pyridinyl]hydrazine
CID 116794577
2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol
CID 66280066
5-bromo-3-methyl-2-(1-methylpyrazol-4-yl)oxypyridine
CID 116793296
2-fluoro-4-(1-methylpyrazol-4-yl)oxy-5-nitrobenzoic acid
CID 116792576
2,5-dimethyl-3-nitropyridine
CID 12626468
2-(3-fluoro-1-methylpiperidin-4-yl)oxy-5-methyl-3-nitropyridine
CID 130268221

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine?
The IUPAC name of 5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine (CID 100731820) is 5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine.
What is the SMILES notation for 5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine?
The canonical SMILES for 5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine is Cc1cnc(Oc2cnn(C)c2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine?
The InChIKey is CHMKEWLMLFILDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-7-3-9(14(15)16)10(11-4-7)17-8-5-12-13(2)6-8/h3-6H,1-2H3.
What are the key properties of 5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine?
5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine has a molecular weight of 234.22 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine is sourced from PubChem (CID 100731820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).