5-methyl-3-nitro-2-phenoxypyridine

C12H10N2O3 — CID 143610713

IUPAC5-methyl-3-nitro-2-phenoxypyridine
SMILESCc1cnc(Oc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H10N2O3/c1-9-7-11(14(15)16)12(13-8-9)17-10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyQPYXLBVFEKAPBV-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.09
Rot. Bonds3

About 5-methyl-3-nitro-2-phenoxypyridine

5-methyl-3-nitro-2-phenoxypyridine (PubChem CID 143610713) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-methyl-3-nitro-2-phenoxypyridine.

Molecular Properties

Compound Name5-methyl-3-nitro-2-phenoxypyridine
PubChem CID143610713
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name5-methyl-3-nitro-2-phenoxypyridine
SMILESCc1cnc(Oc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H10N2O3/c1-9-7-11(14(15)16)12(13-8-9)17-10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyQPYXLBVFEKAPBV-UHFFFAOYSA-N
XLogP3.09
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.09
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'}

Analyze 5-methyl-3-nitro-2-phenoxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(5-methyl-3-nitro-2-pyridinyl)oxy]benzoate
CID 66277880
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-propan-2-yloxypyridine
CID 124704568
5-methyl-3-nitro-2-(pyridin-2-ylmethoxy)pyridine
CID 71861591
5-methyl-2-(2-nitrophenoxy)pyridin-3-amine
CID 114051048
2-fluoro-N-[5-[(5-methyl-3-nitro-2-pyridinyl)oxy]-2-pyridinyl]prop-2-enamide
CID 167495886
2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
2,5-dimethyl-3-nitropyridine
CID 12626468
5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
CID 61372882

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitro-2-phenoxypyridine?
The IUPAC name of 5-methyl-3-nitro-2-phenoxypyridine (CID 143610713) is 5-methyl-3-nitro-2-phenoxypyridine.
What is the SMILES notation for 5-methyl-3-nitro-2-phenoxypyridine?
The canonical SMILES for 5-methyl-3-nitro-2-phenoxypyridine is Cc1cnc(Oc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-3-nitro-2-phenoxypyridine?
The InChIKey is QPYXLBVFEKAPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-9-7-11(14(15)16)12(13-8-9)17-10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 5-methyl-3-nitro-2-phenoxypyridine?
5-methyl-3-nitro-2-phenoxypyridine has a molecular weight of 230.22 g/mol, XLogP of 3.09, 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-phenoxypyridine is sourced from PubChem (CID 143610713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).