2-(3,5-dimethylphenoxy)-3-nitropyridine

C13H12N2O3 — CID 12675961

IUPAC2-(3,5-dimethylphenoxy)-3-nitropyridine
SMILESCc1cc(C)cc(Oc2ncccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H12N2O3/c1-9-6-10(2)8-11(7-9)18-13-12(15(16)17)4-3-5-14-13/h3-8H,1-2H3
InChIKeyHFTNVFLWOXUNNM-UHFFFAOYSA-N
MW244.25 g/mol
LogP3.40
Rot. Bonds3

About 2-(3,5-dimethylphenoxy)-3-nitropyridine

2-(3,5-dimethylphenoxy)-3-nitropyridine (PubChem CID 12675961) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-3-nitropyridine.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-3-nitropyridine
PubChem CID12675961
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-(3,5-dimethylphenoxy)-3-nitropyridine
SMILESCc1cc(C)cc(Oc2ncccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H12N2O3/c1-9-6-10(2)8-11(7-9)18-13-12(15(16)17)4-3-5-14-13/h3-8H,1-2H3
InChIKeyHFTNVFLWOXUNNM-UHFFFAOYSA-N
XLogP3.40
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 53.40
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

3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol
CID 107680779
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine
CID 139780070
1-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]ethanone
CID 40676941
3-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 55138995
2-(3-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 114055703
3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine
CID 160580310
4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 40677099
2-(3,5-dimethylphenoxy)pyridine-3-carbonitrile
CID 24709601
3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine
CID 618978
5-methyl-3-nitro-2-phenoxypyridine
CID 143610713
4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 61395996

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-3-nitropyridine?
The IUPAC name of 2-(3,5-dimethylphenoxy)-3-nitropyridine (CID 12675961) is 2-(3,5-dimethylphenoxy)-3-nitropyridine.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-3-nitropyridine?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-3-nitropyridine is Cc1cc(C)cc(Oc2ncccc2[N+](=O)[O-])c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-3-nitropyridine?
The InChIKey is HFTNVFLWOXUNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-9-6-10(2)8-11(7-9)18-13-12(15(16)17)4-3-5-14-13/h3-8H,1-2H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-3-nitropyridine?
2-(3,5-dimethylphenoxy)-3-nitropyridine has a molecular weight of 244.25 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-3-nitropyridine is sourced from PubChem (CID 12675961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).