O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride

C7H12Cl2N2O — CID 45158549

IUPACO-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride
SMILESCl.Cl.NOCCc1cccnc1
InChIInChI=1S/C7H10N2O.2ClH/c8-10-5-3-7-2-1-4-9-6-7;;/h1-2,4,6H,3,5,8H2;2*1H
InChIKeyKFGXVAVLFICEGD-UHFFFAOYSA-N
MW211.09 g/mol
LogP1.36
Rot. Bonds3

About O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride

O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride (PubChem CID 45158549) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride.

Molecular Properties

Compound NameO-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride
PubChem CID45158549
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC NameO-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride
SMILESCl.Cl.NOCCc1cccnc1
InChIInChI=1S/C7H10N2O.2ClH/c8-10-5-3-7-2-1-4-9-6-7;;/h1-2,4,6H,3,5,8H2;2*1H
InChIKeyKFGXVAVLFICEGD-UHFFFAOYSA-N
XLogP1.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
2-(2-pyridin-3-ylethyl)aniline;dihydrochloride
CID 45075131
CID 58450299
CID 58450299
pyridine;2-pyridin-3-ylethyl acetate
CID 23213945
2-pyridin-3-ylethyl N-(diaminomethylidene)carbamate
CID 142116410
3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868
2-(2-pyridin-3-ylethoxy)acetic acid
CID 83530002
argon;2-pyridin-3-ylethanol
CID 159015973
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
CID 65102137
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
trimethoxy(2-pyridin-3-ylethyl)silane
CID 59906767

Frequently Asked Questions

What is the IUPAC name of O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride?
The IUPAC name of O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride (CID 45158549) is O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride.
What is the SMILES notation for O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride?
The canonical SMILES for O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride is Cl.Cl.NOCCc1cccnc1.
What is the InChIKey of O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride?
The InChIKey is KFGXVAVLFICEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.2ClH/c8-10-5-3-7-2-1-4-9-6-7;;/h1-2,4,6H,3,5,8H2;2*1H.
What are the key properties of O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride?
O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride has a molecular weight of 211.09 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride is sourced from PubChem (CID 45158549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).