3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine

C22H18N4O4 — CID 160580310

IUPAC3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine
SMILESNc1cccnc1Oc1ccccc1.O=[N+]([O-])c1cccnc1Oc1ccccc1
InChIInChI=1S/C11H8N2O3.C11H10N2O/c14-13(15)10-7-4-8-12-11(10)16-9-5-2-1-3-6-9;12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h1-8H;1-8H,12H2
InChIKeyRBRRHBVLWCVVMQ-UHFFFAOYSA-N
MW402.41 g/mol
LogP5.24
Rot. Bonds5

About 3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine

3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine (PubChem CID 160580310) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine.

Molecular Properties

Compound Name3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine
PubChem CID160580310
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine
SMILESNc1cccnc1Oc1ccccc1.O=[N+]([O-])c1cccnc1Oc1ccccc1
InChIInChI=1S/C11H8N2O3.C11H10N2O/c14-13(15)10-7-4-8-12-11(10)16-9-5-2-1-3-6-9;12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h1-8H;1-8H,12H2
InChIKeyRBRRHBVLWCVVMQ-UHFFFAOYSA-N
XLogP5.24
TPSA113.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.41
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
3-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 55138995
2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961
1-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]ethanone
CID 40676941
3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
CID 22247632
2-(4-methyl-2-nitrophenoxy)pyridin-3-amine
CID 114051805
2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine
CID 114051796
2-[(3-amino-2-pyridinyl)oxy]pyridin-3-amine
CID 71150824
3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine
CID 618978
2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine
CID 139780070
2-amino-4-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395733
5-methyl-3-nitro-2-phenoxypyridine
CID 143610713

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine?
The IUPAC name of 3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine (CID 160580310) is 3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine.
What is the SMILES notation for 3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine?
The canonical SMILES for 3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine is Nc1cccnc1Oc1ccccc1.O=[N+]([O-])c1cccnc1Oc1ccccc1.
What is the InChIKey of 3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine?
The InChIKey is RBRRHBVLWCVVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3.C11H10N2O/c14-13(15)10-7-4-8-12-11(10)16-9-5-2-1-3-6-9;12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h1-8H;1-8H,12H2.
What are the key properties of 3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine?
3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine has a molecular weight of 402.41 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine is sourced from PubChem (CID 160580310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).