N-[6-(1,3-dioxolan-2-yl)-4-methyl-3-pyridinyl]hydroxylamine

C9H12N2O3 — CID 10081379

IUPACN-[6-(1,3-dioxolan-2-yl)-4-methyl-3-pyridinyl]hydroxylamine
SMILESCc1cc(C2OCCO2)ncc1NO
InChIInChI=1S/C9H12N2O3/c1-6-4-7(9-13-2-3-14-9)10-5-8(6)11-12/h4-5,9,11-12H,2-3H2,1H3
InChIKeyIRSJZEROAOTONP-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.24
Rot. Bonds2

About N-[6-(1,3-dioxolan-2-yl)-4-methyl-3-pyridinyl]hydroxylamine

N-[6-(1,3-dioxolan-2-yl)-4-methyl-3-pyridinyl]hydroxylamine (PubChem CID 10081379) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-[6-(1,3-dioxolan-2-yl)-4-methyl-3-pyridinyl]hydroxylamine.

Molecular Properties

Compound NameN-[6-(1,3-dioxolan-2-yl)-4-methyl-3-pyridinyl]hydroxylamine
PubChem CID10081379
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN-[6-(1,3-dioxolan-2-yl)-4-methyl-3-pyridinyl]hydroxylamine
SMILESCc1cc(C2OCCO2)ncc1NO
InChIInChI=1S/C9H12N2O3/c1-6-4-7(9-13-2-3-14-9)10-5-8(6)11-12/h4-5,9,11-12H,2-3H2,1H3
InChIKeyIRSJZEROAOTONP-UHFFFAOYSA-N
XLogP1.24
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1,3-dioxolan-2-yl)-4-methyl-3-pyridinyl]hydroxylamine?
The IUPAC name of N-[6-(1,3-dioxolan-2-yl)-4-methyl-3-pyridinyl]hydroxylamine (CID 10081379) is N-[6-(1,3-dioxolan-2-yl)-4-methyl-3-pyridinyl]hydroxylamine.
What is the SMILES notation for N-[6-(1,3-dioxolan-2-yl)-4-methyl-3-pyridinyl]hydroxylamine?
The canonical SMILES for N-[6-(1,3-dioxolan-2-yl)-4-methyl-3-pyridinyl]hydroxylamine is Cc1cc(C2OCCO2)ncc1NO.
What is the InChIKey of N-[6-(1,3-dioxolan-2-yl)-4-methyl-3-pyridinyl]hydroxylamine?
The InChIKey is IRSJZEROAOTONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6-4-7(9-13-2-3-14-9)10-5-8(6)11-12/h4-5,9,11-12H,2-3H2,1H3.
What are the key properties of N-[6-(1,3-dioxolan-2-yl)-4-methyl-3-pyridinyl]hydroxylamine?
N-[6-(1,3-dioxolan-2-yl)-4-methyl-3-pyridinyl]hydroxylamine has a molecular weight of 196.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,3-dioxolan-2-yl)-4-methyl-3-pyridinyl]hydroxylamine is sourced from PubChem (CID 10081379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).