5-nitro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine

C11H15N3O3 — CID 113243988

IUPAC5-nitro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1ccc([N+](=O)[O-])cn1)C1CCOC1
InChIInChI=1S/C11H15N3O3/c1-8(9-4-5-17-7-9)13-11-3-2-10(6-12-11)14(15)16/h2-3,6,8-9H,4-5,7H2,1H3,(H,12,13)
InChIKeySYIOIWMFJXSTBQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.83
Rot. Bonds4

About 5-nitro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine

5-nitro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine (PubChem CID 113243988) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-nitro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine
PubChem CID113243988
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-nitro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1ccc([N+](=O)[O-])cn1)C1CCOC1
InChIInChI=1S/C11H15N3O3/c1-8(9-4-5-17-7-9)13-11-3-2-10(6-12-11)14(15)16/h2-3,6,8-9H,4-5,7H2,1H3,(H,12,13)
InChIKeySYIOIWMFJXSTBQ-UHFFFAOYSA-N
XLogP1.83
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.83
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-nitro-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113350229
3-nitro-6-[1-(oxolan-3-yl)ethylamino]pyridine-2-carbonitrile
CID 103472104
2-chloro-5-nitro-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113483376
5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine
CID 94178641
5-nitro-N-pentan-3-ylpyridin-2-amine
CID 43079595
2-cyclopropyl-2-[(5-nitro-2-pyridinyl)amino]acetic acid
CID 62695778
3-methyl-4-nitro-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115886075
5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113483482
5-nitro-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyridin-4-amine
CID 106749682
3-nitro-N-[1-(oxan-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine
CID 133420474
5-nitro-N-(1-phenylethyl)pyridin-2-amine
CID 571172
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
CID 30994278

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine (CID 113243988) is 5-nitro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine is CC(Nc1ccc([N+](=O)[O-])cn1)C1CCOC1.
What is the InChIKey of 5-nitro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine?
The InChIKey is SYIOIWMFJXSTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8(9-4-5-17-7-9)13-11-3-2-10(6-12-11)14(15)16/h2-3,6,8-9H,4-5,7H2,1H3,(H,12,13).
What are the key properties of 5-nitro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine?
5-nitro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine has a molecular weight of 237.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 113243988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).