2-(4-methyl-2-nitrophenoxy)pyridin-3-amine

C12H11N3O3 — CID 114051805

IUPAC2-(4-methyl-2-nitrophenoxy)pyridin-3-amine
SMILESCc1ccc(Oc2ncccc2N)c([N+](=O)[O-])c1
InChIInChI=1S/C12H11N3O3/c1-8-4-5-11(10(7-8)15(16)17)18-12-9(13)3-2-6-14-12/h2-7H,13H2,1H3
InChIKeyVFKXXBYEKJTAQK-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.67
Rot. Bonds3

About 2-(4-methyl-2-nitrophenoxy)pyridin-3-amine

2-(4-methyl-2-nitrophenoxy)pyridin-3-amine (PubChem CID 114051805) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-(4-methyl-2-nitrophenoxy)pyridin-3-amine.

Molecular Properties

Compound Name2-(4-methyl-2-nitrophenoxy)pyridin-3-amine
PubChem CID114051805
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2-(4-methyl-2-nitrophenoxy)pyridin-3-amine
SMILESCc1ccc(Oc2ncccc2N)c([N+](=O)[O-])c1
InChIInChI=1S/C12H11N3O3/c1-8-4-5-11(10(7-8)15(16)17)18-12-9(13)3-2-6-14-12/h2-7H,13H2,1H3
InChIKeyVFKXXBYEKJTAQK-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-(4-methyl-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 45437625
2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine
CID 114051796
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine
CID 80879584
3-(4-methyl-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 62702106
2-(2-fluoro-5-methylphenoxy)pyridin-3-amine
CID 64855365
3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine
CID 160580310
3-(4-methyl-2-nitrophenoxy)aniline
CID 54908905
5-methyl-2-(2-nitrophenoxy)pyridin-3-amine
CID 114051048
3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380037
5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine
CID 61374554
[4-(4-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920014

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-nitrophenoxy)pyridin-3-amine?
The IUPAC name of 2-(4-methyl-2-nitrophenoxy)pyridin-3-amine (CID 114051805) is 2-(4-methyl-2-nitrophenoxy)pyridin-3-amine.
What is the SMILES notation for 2-(4-methyl-2-nitrophenoxy)pyridin-3-amine?
The canonical SMILES for 2-(4-methyl-2-nitrophenoxy)pyridin-3-amine is Cc1ccc(Oc2ncccc2N)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-methyl-2-nitrophenoxy)pyridin-3-amine?
The InChIKey is VFKXXBYEKJTAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-8-4-5-11(10(7-8)15(16)17)18-12-9(13)3-2-6-14-12/h2-7H,13H2,1H3.
What are the key properties of 2-(4-methyl-2-nitrophenoxy)pyridin-3-amine?
2-(4-methyl-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 2-(4-methyl-2-nitrophenoxy)pyridin-3-amine is sourced from PubChem (CID 114051805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).