2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine

C13H13N3O3 — CID 79251179

IUPAC2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine
SMILESCc1ccc([N+](=O)[O-])cc1OCc1cc(N)ccn1
InChIInChI=1S/C13H13N3O3/c1-9-2-3-12(16(17)18)7-13(9)19-8-11-6-10(14)4-5-15-11/h2-7H,8H2,1H3,(H2,14,15)
InChIKeyLIIRZBTVQYFUJV-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.46
Rot. Bonds4

About 2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine

2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine (PubChem CID 79251179) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine
PubChem CID79251179
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine
SMILESCc1ccc([N+](=O)[O-])cc1OCc1cc(N)ccn1
InChIInChI=1S/C13H13N3O3/c1-9-2-3-12(16(17)18)7-13(9)19-8-11-6-10(14)4-5-15-11/h2-7H,8H2,1H3,(H2,14,15)
InChIKeyLIIRZBTVQYFUJV-UHFFFAOYSA-N
XLogP2.46
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.46
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'}

Analyze 2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine
CID 79250809
2-[(3-methyl-2-nitrophenoxy)methyl]pyridin-4-amine
CID 79251934
2-[(2-methyl-3-nitrophenoxy)methyl]pyridin-4-amine
CID 79250743
2-[(4-chloro-2-nitrophenoxy)methyl]pyridin-4-amine
CID 79251756
2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine
CID 116797824
2-(2-bromo-5-nitrophenoxy)pyridin-4-amine
CID 114053316
2-(2-methyl-5-nitrophenoxy)acetonitrile
CID 60779222
(4-nitro-2-pyridinyl)methyl acetate
CID 14761430
3-[(2-methyl-5-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 63075197
3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine
CID 62886670
1-methyl-4-nitro-2-(2,2,2-trifluoroethoxy)benzene
CID 18700159
3-(2-methyl-5-nitrophenoxy)propanamide
CID 61059962

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine?
The IUPAC name of 2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine (CID 79251179) is 2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine.
What is the SMILES notation for 2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine?
The canonical SMILES for 2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine is Cc1ccc([N+](=O)[O-])cc1OCc1cc(N)ccn1.
What is the InChIKey of 2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine?
The InChIKey is LIIRZBTVQYFUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-9-2-3-12(16(17)18)7-13(9)19-8-11-6-10(14)4-5-15-11/h2-7H,8H2,1H3,(H2,14,15).
What are the key properties of 2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine?
2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine has a molecular weight of 259.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine is sourced from PubChem (CID 79251179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).