6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine

C12H17N3O3 — CID 80718009

IUPAC6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
SMILESCc1nc(NCCC2CCCO2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-9-11(15(16)17)4-5-12(14-9)13-7-6-10-3-2-8-18-10/h4-5,10H,2-3,6-8H2,1H3,(H,13,14)
InChIKeyIFPNEFDMRIMJBM-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.28
Rot. Bonds5

About 6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine

6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine (PubChem CID 80718009) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
PubChem CID80718009
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
SMILESCc1nc(NCCC2CCCO2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-9-11(15(16)17)4-5-12(14-9)13-7-6-10-3-2-8-18-10/h4-5,10H,2-3,6-8H2,1H3,(H,13,14)
InChIKeyIFPNEFDMRIMJBM-UHFFFAOYSA-N
XLogP2.28
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.28
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

4-methyl-2-nitro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 54916885
N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306791
5-methyl-3-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 66278945
5-methyl-2-nitro-N-[2-(oxan-2-yl)ethyl]aniline
CID 103990775
6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine
CID 80712207
6-chloro-4-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 103888346
N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine
CID 103764632
N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 115696993
6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine
CID 79827367
3-nitro-2-[2-(oxolan-2-yl)ethylamino]benzoic acid
CID 115932332
N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80712219
N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 80719198

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine (CID 80718009) is 6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine is Cc1nc(NCCC2CCCO2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine?
The InChIKey is IFPNEFDMRIMJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-11(15(16)17)4-5-12(14-9)13-7-6-10-3-2-8-18-10/h4-5,10H,2-3,6-8H2,1H3,(H,13,14).
What are the key properties of 6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine?
6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 80718009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).