6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine

C11H15N3O4 — CID 79882191

IUPAC6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NCC2CCCO2)n1
InChIInChI=1S/C11H15N3O4/c1-17-10-5-4-9(14(15)16)11(13-10)12-7-8-3-2-6-18-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyQGULCXGINDYTDJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.59
Rot. Bonds5

About 6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine

6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine (PubChem CID 79882191) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
PubChem CID79882191
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NCC2CCCO2)n1
InChIInChI=1S/C11H15N3O4/c1-17-10-5-4-9(14(15)16)11(13-10)12-7-8-3-2-6-18-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyQGULCXGINDYTDJ-UHFFFAOYSA-N
XLogP1.59
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.59
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-methoxy-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 115323228
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 28557215
6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine
CID 113286504
5-methoxy-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 78954558
6-chloro-3-nitro-N-[[(2S)-oxetan-2-yl]methyl]pyridin-2-amine
CID 166095090
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
5-chloro-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 2915714
N-(2-cyclopropyloxolan-3-yl)-6-methoxy-3-nitropyridin-2-amine
CID 103863968
N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321476
N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 103739551
N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321580
2,3-difluoro-6-nitro-N-(oxolan-2-ylmethyl)aniline
CID 62533651

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine (CID 79882191) is 6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine is COc1ccc([N+](=O)[O-])c(NCC2CCCO2)n1.
What is the InChIKey of 6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The InChIKey is QGULCXGINDYTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-17-10-5-4-9(14(15)16)11(13-10)12-7-8-3-2-6-18-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,13).
What are the key properties of 6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine?
6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine has a molecular weight of 253.26 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 79882191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).