5-methyl-3-nitro-2-propan-2-yloxypyridine

C9H12N2O3 — CID 124704568

IUPAC5-methyl-3-nitro-2-propan-2-yloxypyridine
SMILESCc1cnc(OC(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C9H12N2O3/c1-6(2)14-9-8(11(12)13)4-7(3)5-10-9/h4-6H,1-3H3
InChIKeyHEXOCZBQHDNAFM-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.09
Rot. Bonds3

About 5-methyl-3-nitro-2-propan-2-yloxypyridine

5-methyl-3-nitro-2-propan-2-yloxypyridine (PubChem CID 124704568) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-methyl-3-nitro-2-propan-2-yloxypyridine.

Molecular Properties

Compound Name5-methyl-3-nitro-2-propan-2-yloxypyridine
PubChem CID124704568
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-methyl-3-nitro-2-propan-2-yloxypyridine
SMILESCc1cnc(OC(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C9H12N2O3/c1-6(2)14-9-8(11(12)13)4-7(3)5-10-9/h4-6H,1-3H3
InChIKeyHEXOCZBQHDNAFM-UHFFFAOYSA-N
XLogP2.09
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-bromo-3-nitro-2-propan-2-yloxypyridine
CID 61373982
5-methyl-3-nitro-2-phenoxypyridine
CID 143610713
4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine
CID 175382524
2,5-dimethyl-3-nitropyridine
CID 12626468
2-chloro-5-methyl-3-nitropyridine
CID 139082293
2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol
CID 66280066
5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine
CID 100731820
2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine
CID 66279586
5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine
CID 71861591
2-methyl-5-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]-1,3,4-oxadiazole
CID 71863441
N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280695
methyl 4-[(5-methyl-3-nitro-2-pyridinyl)oxy]benzoate
CID 66277880

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitro-2-propan-2-yloxypyridine?
The IUPAC name of 5-methyl-3-nitro-2-propan-2-yloxypyridine (CID 124704568) is 5-methyl-3-nitro-2-propan-2-yloxypyridine.
What is the SMILES notation for 5-methyl-3-nitro-2-propan-2-yloxypyridine?
The canonical SMILES for 5-methyl-3-nitro-2-propan-2-yloxypyridine is Cc1cnc(OC(C)C)c([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-3-nitro-2-propan-2-yloxypyridine?
The InChIKey is HEXOCZBQHDNAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6(2)14-9-8(11(12)13)4-7(3)5-10-9/h4-6H,1-3H3.
What are the key properties of 5-methyl-3-nitro-2-propan-2-yloxypyridine?
5-methyl-3-nitro-2-propan-2-yloxypyridine has a molecular weight of 196.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitro-2-propan-2-yloxypyridine is sourced from PubChem (CID 124704568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).