2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine

C8H11N3O3 — CID 55271501

IUPAC2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine
SMILESCOCC(N)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C8H11N3O3/c1-14-5-7(9)8-3-2-6(4-10-8)11(12)13/h2-4,7H,5,9H2,1H3
InChIKeyNYFKDFICNFISTI-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.64
Rot. Bonds4

About 2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine

2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine (PubChem CID 55271501) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine
PubChem CID55271501
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine
SMILESCOCC(N)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C8H11N3O3/c1-14-5-7(9)8-3-2-6(4-10-8)11(12)13/h2-4,7H,5,9H2,1H3
InChIKeyNYFKDFICNFISTI-UHFFFAOYSA-N
XLogP0.64
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.64
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

(1R)-2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine
CID 55271925
3-(5-nitro-2-pyridinyl)butan-2-amine
CID 63198306
2-(5-nitro-2-pyridinyl)pentan-3-amine
CID 63550334
6-[(1S)-1-amino-2-methoxyethyl]pyridin-3-ol
CID 55293682
1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 115940057
2-(1-methylpyrrol-2-yl)-1-(5-nitro-2-pyridinyl)ethanamine
CID 70500566
methyl 3-cyclopropyl-2-(5-nitro-2-pyridinyl)propanoate
CID 67308359
1-(1-methoxypropan-2-yl)-4-nitrobenzene
CID 86111209
(2R)-1-(5-nitro-2-pyridinyl)propan-2-amine
CID 95028659
2-methoxy-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 81078655
N-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine
CID 63199360
3-chloro-1-(5-nitro-2-pyridinyl)propane-1,2-diol
CID 171862025

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine?
The IUPAC name of 2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine (CID 55271501) is 2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine?
The canonical SMILES for 2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine is COCC(N)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine?
The InChIKey is NYFKDFICNFISTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-14-5-7(9)8-3-2-6(4-10-8)11(12)13/h2-4,7H,5,9H2,1H3.
What are the key properties of 2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine?
2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine has a molecular weight of 197.19 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine is sourced from PubChem (CID 55271501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).