6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine

C13H13N3O4 — CID 103202243

IUPAC6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine
SMILESCOc1ccc(OCc2cccc(N)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O4/c1-19-12-6-5-10(7-11(12)16(17)18)20-8-9-3-2-4-13(14)15-9/h2-7H,8H2,1H3,(H2,14,15)
InChIKeyBDHPIQSGWNPXFG-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.16
Rot. Bonds5

About 6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine

6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine (PubChem CID 103202243) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine
PubChem CID103202243
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine
SMILESCOc1ccc(OCc2cccc(N)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O4/c1-19-12-6-5-10(7-11(12)16(17)18)20-8-9-3-2-4-13(14)15-9/h2-7H,8H2,1H3,(H2,14,15)
InChIKeyBDHPIQSGWNPXFG-UHFFFAOYSA-N
XLogP2.16
TPSA100.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79233113
4-[(4-methoxy-3-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 103201513
2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine
CID 103201604
6-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyridin-2-amine
CID 79841922
4-(4-methoxy-3-nitrophenoxy)butane-1-sulfonyl chloride
CID 103202297
[4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 103202262
[5-[(4-methoxy-3-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 103202266
N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine
CID 59427849
5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine
CID 103202259
4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202380
5-bromo-2-[(4-methoxy-2-nitrophenoxy)methyl]pyridine
CID 104809840
2-[2-(4-methoxy-3-nitrophenoxy)ethoxy]ethanesulfonamide
CID 103202309

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine (CID 103202243) is 6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine is COc1ccc(OCc2cccc(N)n2)cc1[N+](=O)[O-].
What is the InChIKey of 6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine?
The InChIKey is BDHPIQSGWNPXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-19-12-6-5-10(7-11(12)16(17)18)20-8-9-3-2-4-13(14)15-9/h2-7H,8H2,1H3,(H2,14,15).
What are the key properties of 6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine?
6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine has a molecular weight of 275.26 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 103202243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).