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

C13H13N3O3 — CID 62195557

IUPAC5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine
SMILESCc1c(OCc2ccc(N)nc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O3/c1-9-11(16(17)18)3-2-4-12(9)19-8-10-5-6-13(14)15-7-10/h2-7H,8H2,1H3,(H2,14,15)
InChIKeyHBHPOOSBHJQQTA-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.46
Rot. Bonds4

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

5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine (PubChem CID 62195557) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine
PubChem CID62195557
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine
SMILESCc1c(OCc2ccc(N)nc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O3/c1-9-11(16(17)18)3-2-4-12(9)19-8-10-5-6-13(14)15-7-10/h2-7H,8H2,1H3,(H2,14,15)
InChIKeyHBHPOOSBHJQQTA-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 ≤ 500259.27
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'}

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Related Compounds

5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine
CID 104831737
5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]pyridin-2-amine
CID 114416743
5-(2-methyl-3-nitrophenoxy)pyrazin-2-amine
CID 80663589
2-[(2-methyl-3-nitrophenoxy)methyl]pyridin-4-amine
CID 79250743
5-[(2-methylphenoxy)methyl]pyridin-2-amine
CID 62195123
1-[(3-bromo-4-fluorophenyl)methoxy]-2-methyl-3-nitrobenzene
CID 63456882
2-chloro-5-[(2-methyl-3-nitrophenoxy)methyl]-1,3-thiazole
CID 79764108
1-(bromomethoxy)-2-methyl-3-nitrobenzene
CID 67096067
5-[(2-methyl-3-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63568555
4-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 63885173
2-(2-methyl-3-nitrophenoxy)acetamide
CID 47214184
5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine
CID 112687927

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine (CID 62195557) is 5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine is Cc1c(OCc2ccc(N)nc2)cccc1[N+](=O)[O-].
What is the InChIKey of 5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine?
The InChIKey is HBHPOOSBHJQQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-9-11(16(17)18)3-2-4-12(9)19-8-10-5-6-13(14)15-7-10/h2-7H,8H2,1H3,(H2,14,15).
What are the key properties of 5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine?
5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine has a molecular weight of 259.27 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 5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 62195557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).