N-[1-(6-ethoxy-2-pyridinyl)ethylidene]hydroxylamine

C9H12N2O2 — CID 142476631

IUPACN-[1-(6-ethoxy-2-pyridinyl)ethylidene]hydroxylamine
SMILESCCOc1cccc(C(C)=NO)n1
InChIInChI=1S/C9H12N2O2/c1-3-13-9-6-4-5-8(10-9)7(2)11-12/h4-6,12H,3H2,1-2H3
InChIKeyCIBZYNPYFCJBGK-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.68
Rot. Bonds3

About N-[1-(6-ethoxy-2-pyridinyl)ethylidene]hydroxylamine

N-[1-(6-ethoxy-2-pyridinyl)ethylidene]hydroxylamine (PubChem CID 142476631) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-[1-(6-ethoxy-2-pyridinyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(6-ethoxy-2-pyridinyl)ethylidene]hydroxylamine
PubChem CID142476631
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-[1-(6-ethoxy-2-pyridinyl)ethylidene]hydroxylamine
SMILESCCOc1cccc(C(C)=NO)n1
InChIInChI=1S/C9H12N2O2/c1-3-13-9-6-4-5-8(10-9)7(2)11-12/h4-6,12H,3H2,1-2H3
InChIKeyCIBZYNPYFCJBGK-UHFFFAOYSA-N
XLogP1.68
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 136803768
2-ethoxy-6-propylpyridine
CID 166041245
2-ethoxy-6-ethylpyridine
CID 58662042
copper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine)
CID 135528783
(NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine
CID 135871346
N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine
CID 162770634
3-[(6-ethoxy-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide
CID 77002311
CID 178092160
CID 178092160
2-azido-6-ethoxypyridine
CID 80583737
2-ethenyl-6-ethoxypyridine
CID 74889611
2-ethoxy-6-phenylpyridine
CID 58166184
N'-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
CID 136867043

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethoxy-2-pyridinyl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(6-ethoxy-2-pyridinyl)ethylidene]hydroxylamine (CID 142476631) is N-[1-(6-ethoxy-2-pyridinyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(6-ethoxy-2-pyridinyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(6-ethoxy-2-pyridinyl)ethylidene]hydroxylamine is CCOc1cccc(C(C)=NO)n1.
What is the InChIKey of N-[1-(6-ethoxy-2-pyridinyl)ethylidene]hydroxylamine?
The InChIKey is CIBZYNPYFCJBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-13-9-6-4-5-8(10-9)7(2)11-12/h4-6,12H,3H2,1-2H3.
What are the key properties of N-[1-(6-ethoxy-2-pyridinyl)ethylidene]hydroxylamine?
N-[1-(6-ethoxy-2-pyridinyl)ethylidene]hydroxylamine has a molecular weight of 180.21 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethoxy-2-pyridinyl)ethylidene]hydroxylamine is sourced from PubChem (CID 142476631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).