4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine

C15H16N2O4 — CID 133339789

IUPAC4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine
SMILESCc1cc(Oc2ccc(OC(C)C)cc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O4/c1-10(2)20-12-4-6-13(7-5-12)21-15-8-11(3)14(9-16-15)17(18)19/h4-10H,1-3H3
InChIKeyLSIFFKCEOFAAPM-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.88
Rot. Bonds5

About 4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine

4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine (PubChem CID 133339789) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine.

Molecular Properties

Compound Name4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine
PubChem CID133339789
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine
SMILESCc1cc(Oc2ccc(OC(C)C)cc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O4/c1-10(2)20-12-4-6-13(7-5-12)21-15-8-11(3)14(9-16-15)17(18)19/h4-10H,1-3H3
InChIKeyLSIFFKCEOFAAPM-UHFFFAOYSA-N
XLogP3.88
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.88
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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Related Compounds

N,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide
CID 133329243
2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 107672545
2-(difluoromethoxy)-4-methyl-5-nitropyridine
CID 171503638
4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide
CID 133328894
1-methyl-2-nitro-4-propan-2-yloxybenzene
CID 68969048
2-(2,3-difluorophenoxy)-4-methyl-5-nitropyridine
CID 133329231
2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 79175885
5-nitro-2,4-diphenoxypyridine
CID 139217922
4-fluoro-2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 107016475
2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 1406826
2-nitro-4-propan-2-yloxyphenol
CID 11820026
5-methyl-3-nitro-2-propan-2-yloxypyridine
CID 124704568

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine?
The IUPAC name of 4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine (CID 133339789) is 4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine.
What is the SMILES notation for 4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine?
The canonical SMILES for 4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine is Cc1cc(Oc2ccc(OC(C)C)cc2)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine?
The InChIKey is LSIFFKCEOFAAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10(2)20-12-4-6-13(7-5-12)21-15-8-11(3)14(9-16-15)17(18)19/h4-10H,1-3H3.
What are the key properties of 4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine?
4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine has a molecular weight of 288.30 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine is sourced from PubChem (CID 133339789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).