5-methyl-2-(2-nitrophenoxy)pyridin-3-amine

C12H11N3O3 — CID 114051048

IUPAC5-methyl-2-(2-nitrophenoxy)pyridin-3-amine
SMILESCc1cnc(Oc2ccccc2[N+](=O)[O-])c(N)c1
InChIInChI=1S/C12H11N3O3/c1-8-6-9(13)12(14-7-8)18-11-5-3-2-4-10(11)15(16)17/h2-7H,13H2,1H3
InChIKeyPILDLJPDIYCPHI-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.67
Rot. Bonds3

About 5-methyl-2-(2-nitrophenoxy)pyridin-3-amine

5-methyl-2-(2-nitrophenoxy)pyridin-3-amine (PubChem CID 114051048) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-methyl-2-(2-nitrophenoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-2-(2-nitrophenoxy)pyridin-3-amine
PubChem CID114051048
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name5-methyl-2-(2-nitrophenoxy)pyridin-3-amine
SMILESCc1cnc(Oc2ccccc2[N+](=O)[O-])c(N)c1
InChIInChI=1S/C12H11N3O3/c1-8-6-9(13)12(14-7-8)18-11-5-3-2-4-10(11)15(16)17/h2-7H,13H2,1H3
InChIKeyPILDLJPDIYCPHI-UHFFFAOYSA-N
XLogP2.67
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.67
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-(2-chlorophenoxy)-5-methylpyridin-3-amine
CID 66279781
5-methyl-3-nitro-2-phenoxypyridine
CID 143610713
5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875420
2-methyl-3-[(5-methyl-3-nitro-2-pyridinyl)oxy]phenol
CID 66280066
2-(4-methyl-2-nitrophenoxy)pyridin-3-amine
CID 114051805
1-(4-methylphenoxy)-2-nitrobenzene
CID 3377310
3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine
CID 105368287
3-(2-nitrophenoxy)aniline
CID 12638058
5-(2-nitrophenoxy)pyridin-3-amine
CID 104536596
5-fluoro-4-methyl-6-(2-nitrophenoxy)pyrimidine
CID 20595468
2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine
CID 114051796
ethane;1-methyl-2-(2-nitrophenoxy)benzene
CID 90780994

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-nitrophenoxy)pyridin-3-amine?
The IUPAC name of 5-methyl-2-(2-nitrophenoxy)pyridin-3-amine (CID 114051048) is 5-methyl-2-(2-nitrophenoxy)pyridin-3-amine.
What is the SMILES notation for 5-methyl-2-(2-nitrophenoxy)pyridin-3-amine?
The canonical SMILES for 5-methyl-2-(2-nitrophenoxy)pyridin-3-amine is Cc1cnc(Oc2ccccc2[N+](=O)[O-])c(N)c1.
What is the InChIKey of 5-methyl-2-(2-nitrophenoxy)pyridin-3-amine?
The InChIKey is PILDLJPDIYCPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-8-6-9(13)12(14-7-8)18-11-5-3-2-4-10(11)15(16)17/h2-7H,13H2,1H3.
What are the key properties of 5-methyl-2-(2-nitrophenoxy)pyridin-3-amine?
5-methyl-2-(2-nitrophenoxy)pyridin-3-amine has a molecular weight of 245.24 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-nitrophenoxy)pyridin-3-amine is sourced from PubChem (CID 114051048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).