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

C12H10N2O4 — CID 107680779

IUPAC3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol
SMILESCc1cc(O)cc(Oc2ncccc2[N+](=O)[O-])c1
InChIInChI=1S/C12H10N2O4/c1-8-5-9(15)7-10(6-8)18-12-11(14(16)17)3-2-4-13-12/h2-7,15H,1H3
InChIKeyRJGADARVRILHSD-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.80
Rot. Bonds3

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

3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol (PubChem CID 107680779) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol.

Molecular Properties

Compound Name3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol
PubChem CID107680779
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol
SMILESCc1cc(O)cc(Oc2ncccc2[N+](=O)[O-])c1
InChIInChI=1S/C12H10N2O4/c1-8-5-9(15)7-10(6-8)18-12-11(14(16)17)3-2-4-13-12/h2-7,15H,1H3
InChIKeyRJGADARVRILHSD-UHFFFAOYSA-N
XLogP2.80
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.80
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

2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961
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
3-methyl-5-pyrimidin-2-yloxyphenol
CID 107680712
3-(4-methoxy-2-nitrophenoxy)-5-methylphenol
CID 107680500
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
4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 61395996
1-chloro-3-[3-[(3-nitro-2-pyridinyl)oxy]anilino]propan-2-ol
CID 168639978

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol?
The IUPAC name of 3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol (CID 107680779) is 3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol.
What is the SMILES notation for 3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol?
The canonical SMILES for 3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol is Cc1cc(O)cc(Oc2ncccc2[N+](=O)[O-])c1.
What is the InChIKey of 3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol?
The InChIKey is RJGADARVRILHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-8-5-9(15)7-10(6-8)18-12-11(14(16)17)3-2-4-13-12/h2-7,15H,1H3.
What are the key properties of 3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol?
3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol has a molecular weight of 246.22 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol is sourced from PubChem (CID 107680779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).