2-methyl-3-[[2-(1-methylpyrazol-3-yl)-4-pyridinyl]oxy]-6-nitropyridine

C15H13N5O3 — CID 146421052

IUPAC2-methyl-3-[[2-(1-methylpyrazol-3-yl)-4-pyridinyl]oxy]-6-nitropyridine
SMILESCc1nc([N+](=O)[O-])ccc1Oc1ccnc(-c2ccn(C)n2)c1
InChIInChI=1S/C15H13N5O3/c1-10-14(3-4-15(17-10)20(21)22)23-11-5-7-16-13(9-11)12-6-8-19(2)18-12/h3-9H,1-2H3
InChIKeyKQVARBLNMWLSQX-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.89
Rot. Bonds4

About 2-methyl-3-[[2-(1-methylpyrazol-3-yl)-4-pyridinyl]oxy]-6-nitropyridine

2-methyl-3-[[2-(1-methylpyrazol-3-yl)-4-pyridinyl]oxy]-6-nitropyridine (PubChem CID 146421052) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-methyl-3-[[2-(1-methylpyrazol-3-yl)-4-pyridinyl]oxy]-6-nitropyridine.

Molecular Properties

Compound Name2-methyl-3-[[2-(1-methylpyrazol-3-yl)-4-pyridinyl]oxy]-6-nitropyridine
PubChem CID146421052
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name2-methyl-3-[[2-(1-methylpyrazol-3-yl)-4-pyridinyl]oxy]-6-nitropyridine
SMILESCc1nc([N+](=O)[O-])ccc1Oc1ccnc(-c2ccn(C)n2)c1
InChIInChI=1S/C15H13N5O3/c1-10-14(3-4-15(17-10)20(21)22)23-11-5-7-16-13(9-11)12-6-8-19(2)18-12/h3-9H,1-2H3
InChIKeyKQVARBLNMWLSQX-UHFFFAOYSA-N
XLogP2.89
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 2-methyl-3-[[2-(1-methylpyrazol-3-yl)-4-pyridinyl]oxy]-6-nitropyridine?
The IUPAC name of 2-methyl-3-[[2-(1-methylpyrazol-3-yl)-4-pyridinyl]oxy]-6-nitropyridine (CID 146421052) is 2-methyl-3-[[2-(1-methylpyrazol-3-yl)-4-pyridinyl]oxy]-6-nitropyridine.
What is the SMILES notation for 2-methyl-3-[[2-(1-methylpyrazol-3-yl)-4-pyridinyl]oxy]-6-nitropyridine?
The canonical SMILES for 2-methyl-3-[[2-(1-methylpyrazol-3-yl)-4-pyridinyl]oxy]-6-nitropyridine is Cc1nc([N+](=O)[O-])ccc1Oc1ccnc(-c2ccn(C)n2)c1.
What is the InChIKey of 2-methyl-3-[[2-(1-methylpyrazol-3-yl)-4-pyridinyl]oxy]-6-nitropyridine?
The InChIKey is KQVARBLNMWLSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-10-14(3-4-15(17-10)20(21)22)23-11-5-7-16-13(9-11)12-6-8-19(2)18-12/h3-9H,1-2H3.
What are the key properties of 2-methyl-3-[[2-(1-methylpyrazol-3-yl)-4-pyridinyl]oxy]-6-nitropyridine?
2-methyl-3-[[2-(1-methylpyrazol-3-yl)-4-pyridinyl]oxy]-6-nitropyridine has a molecular weight of 311.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-(1-methylpyrazol-3-yl)-4-pyridinyl]oxy]-6-nitropyridine is sourced from PubChem (CID 146421052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).