2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol

C13H12N2O4 — CID 66280066

IUPAC2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol
SMILESCc1cnc(Oc2cccc(O)c2C)c([N+](=O)[O-])c1
InChIInChI=1S/C13H12N2O4/c1-8-6-10(15(17)18)13(14-7-8)19-12-5-3-4-11(16)9(12)2/h3-7,16H,1-2H3
InChIKeyCKCRSLPIXAMKJF-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.10
Rot. Bonds3

About 2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol

2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol (PubChem CID 66280066) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol
PubChem CID66280066
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol
SMILESCc1cnc(Oc2cccc(O)c2C)c([N+](=O)[O-])c1
InChIInChI=1S/C13H12N2O4/c1-8-6-10(15(17)18)13(14-7-8)19-12-5-3-4-11(16)9(12)2/h3-7,16H,1-2H3
InChIKeyCKCRSLPIXAMKJF-UHFFFAOYSA-N
XLogP3.10
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
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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Related Compounds

5-methyl-3-nitro-2-phenoxypyridine
CID 143610713
2-(3-hydroxy-2-methylphenoxy)-5-nitropyridine-3-carbonitrile
CID 62098865
2-methyl-3-[(5-nitro-2-pyridinyl)oxy]phenol
CID 60871042
5-methyl-2-(2-nitrophenoxy)pyridin-3-amine
CID 114051048
5-methyl-3-nitro-2-propan-2-yloxypyridine
CID 124704568
methyl 4-[(5-methyl-3-nitro-2-pyridinyl)oxy]benzoate
CID 66277880
5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid
CID 80632599
2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine
CID 66279586
5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine
CID 100731820
5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine
CID 71861591
2-fluoro-N-[5-[(5-methyl-3-nitro-2-pyridinyl)oxy]-2-pyridinyl]prop-2-enamide
CID 167495886
methyl 4-[(5-methyl-3-nitro-2-pyridinyl)oxy]-3-prop-2-ynoxybenzoate
CID 167495740

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol?
The IUPAC name of 2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol (CID 66280066) is 2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol.
What is the SMILES notation for 2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol?
The canonical SMILES for 2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol is Cc1cnc(Oc2cccc(O)c2C)c([N+](=O)[O-])c1.
What is the InChIKey of 2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol?
The InChIKey is CKCRSLPIXAMKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-6-10(15(17)18)13(14-7-8)19-12-5-3-4-11(16)9(12)2/h3-7,16H,1-2H3.
What are the key properties of 2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol?
2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol has a molecular weight of 260.25 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol is sourced from PubChem (CID 66280066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).