2-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethanamine

C8H11N3O3 — CID 62476059

IUPAC2-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethanamine
SMILESCc1cc([N+](=O)[O-])cnc1OCCN
InChIInChI=1S/C8H11N3O3/c1-6-4-7(11(12)13)5-10-8(6)14-3-2-9/h4-5H,2-3,9H2,1H3
InChIKeyKRSMCLBMQUNNAV-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.64
Rot. Bonds4

About 2-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethanamine

2-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethanamine (PubChem CID 62476059) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethanamine
PubChem CID62476059
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethanamine
SMILESCc1cc([N+](=O)[O-])cnc1OCCN
InChIInChI=1S/C8H11N3O3/c1-6-4-7(11(12)13)5-10-8(6)14-3-2-9/h4-5H,2-3,9H2,1H3
InChIKeyKRSMCLBMQUNNAV-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

3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 62475730
N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62688298
ethyl 5-nitro-2-propoxypyridine-3-carboxylate
CID 54001736
2-[1-(3-methyl-5-nitro-2-pyridinyl)imidazol-2-yl]ethanamine
CID 62476232
3-methoxy-2-(4-methylpentoxy)-5-nitropyridine
CID 58153349
N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine
CID 106486385
4-amino-1-(2-methoxy-5-nitro-3-pyridinyl)butane-1,2-diol
CID 171881905
3-cyclopropyl-2-(2-methoxyethoxy)-5-nitropyridine
CID 68620062
2-[(5-nitro-1,2-benzoxazol-3-yl)oxy]ethanamine
CID 15871136
N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine
CID 62477722
2-[2-(2-methyl-5-nitrophenoxy)ethoxy]ethanamine
CID 103482481
2-(2-methyl-4-nitrophenyl)ethanamine
CID 130050826

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethanamine?
The IUPAC name of 2-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethanamine (CID 62476059) is 2-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethanamine.
What is the SMILES notation for 2-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethanamine?
The canonical SMILES for 2-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethanamine is Cc1cc([N+](=O)[O-])cnc1OCCN.
What is the InChIKey of 2-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethanamine?
The InChIKey is KRSMCLBMQUNNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-6-4-7(11(12)13)5-10-8(6)14-3-2-9/h4-5H,2-3,9H2,1H3.
What are the key properties of 2-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethanamine?
2-[(3-methyl-5-nitro-2-pyridinyl)oxy]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-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethanamine is sourced from PubChem (CID 62476059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).