2-(2,6-dimethylphenoxy)-5-nitropyridine

C13H12N2O3 — CID 12675956

IUPAC2-(2,6-dimethylphenoxy)-5-nitropyridine
SMILESCc1cccc(C)c1Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H12N2O3/c1-9-4-3-5-10(2)13(9)18-12-7-6-11(8-14-12)15(16)17/h3-8H,1-2H3
InChIKeyMVNSRPAQFQYAIQ-UHFFFAOYSA-N
MW244.25 g/mol
LogP3.40
Rot. Bonds3

About 2-(2,6-dimethylphenoxy)-5-nitropyridine

2-(2,6-dimethylphenoxy)-5-nitropyridine (PubChem CID 12675956) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-5-nitropyridine.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-5-nitropyridine
PubChem CID12675956
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-(2,6-dimethylphenoxy)-5-nitropyridine
SMILESCc1cccc(C)c1Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H12N2O3/c1-9-4-3-5-10(2)13(9)18-12-7-6-11(8-14-12)15(16)17/h3-8H,1-2H3
InChIKeyMVNSRPAQFQYAIQ-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

2-methyl-3-[(5-nitro-2-pyridinyl)oxy]phenol
CID 60871042
2-(4-chloro-2-methylphenoxy)-5-nitropyridine
CID 2800136
5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
ethyl (E)-3-[3,5-dimethyl-4-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate
CID 86673387
5-methyl-3-nitroquinoline
CID 119082281
N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline
CID 61027206
5-nitro-2-pyridin-1-ium-3-yloxypyridine
CID 5105142
7-[(5-nitro-2-pyridinyl)oxy]-2H-indazole-3-carbaldehyde
CID 22055735
5-nitro-2-pyridin-1-ium-3-yloxypyridine chloride
CID 44887432
5-chloro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 66233897
3-[(5-nitro-2-pyridinyl)oxy]naphthalen-2-ol
CID 60870486
5-bromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 61373997

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-5-nitropyridine?
The IUPAC name of 2-(2,6-dimethylphenoxy)-5-nitropyridine (CID 12675956) is 2-(2,6-dimethylphenoxy)-5-nitropyridine.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-5-nitropyridine?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-5-nitropyridine is Cc1cccc(C)c1Oc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-5-nitropyridine?
The InChIKey is MVNSRPAQFQYAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-9-4-3-5-10(2)13(9)18-12-7-6-11(8-14-12)15(16)17/h3-8H,1-2H3.
What are the key properties of 2-(2,6-dimethylphenoxy)-5-nitropyridine?
2-(2,6-dimethylphenoxy)-5-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-(2,6-dimethylphenoxy)-5-nitropyridine is sourced from PubChem (CID 12675956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).