6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine

C11H15N3O3 — CID 81137313

IUPAC6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine
SMILESCc1ccc([N+](=O)[O-])c(OCC2CCCN2)n1
InChIInChI=1S/C11H15N3O3/c1-8-4-5-10(14(15)16)11(13-8)17-7-9-3-2-6-12-9/h4-5,9,12H,2-3,6-7H2,1H3
InChIKeyZPAHBZMHPLNFLG-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.43
Rot. Bonds4

About 6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine

6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine (PubChem CID 81137313) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine
PubChem CID81137313
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine
SMILESCc1ccc([N+](=O)[O-])c(OCC2CCCN2)n1
InChIInChI=1S/C11H15N3O3/c1-8-4-5-10(14(15)16)11(13-8)17-7-9-3-2-6-12-9/h4-5,9,12H,2-3,6-7H2,1H3
InChIKeyZPAHBZMHPLNFLG-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
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

6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine
CID 115323416
6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile
CID 62348215
3-bromo-4-methyl-5-nitro-2-(piperidin-2-ylmethoxy)pyridine
CID 104508429
2-ethoxy-6-methyl-3-nitropyridine
CID 133057492
2-[(5-chloro-2-methyl-4-nitrophenoxy)methyl]pyrrolidine
CID 113334615
(2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine
CID 102820051
2-methyl-6-nitro-5-(pyrrolidin-2-ylmethoxy)-1,3-benzothiazole
CID 62347924
2,3-bis[[(2S)-azetidin-2-yl]methoxy]-6-methyl-5-nitropyridine
CID 54127917
(2S)-2-[(4-bromo-2-nitrophenoxy)methyl]pyrrolidine
CID 94406471
3-nitro-4-(piperidin-2-ylmethoxy)pyridine
CID 62349163
O-(6-methyl-3-nitro-2-pyridinyl)hydroxylamine
CID 81137851
(2R)-2-[(2-chloro-6-nitrophenoxy)methyl]pyrrolidine
CID 107716862

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine?
The IUPAC name of 6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine (CID 81137313) is 6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine.
What is the SMILES notation for 6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine?
The canonical SMILES for 6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine is Cc1ccc([N+](=O)[O-])c(OCC2CCCN2)n1.
What is the InChIKey of 6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine?
The InChIKey is ZPAHBZMHPLNFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-4-5-10(14(15)16)11(13-8)17-7-9-3-2-6-12-9/h4-5,9,12H,2-3,6-7H2,1H3.
What are the key properties of 6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine?
6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine has a molecular weight of 237.26 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine is sourced from PubChem (CID 81137313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).