N-hydroxyethanimidoyl chloride;2-phenoxypyridine

C13H13ClN2O2 — CID 86612460

IUPACN-hydroxyethanimidoyl chloride;2-phenoxypyridine
SMILESCC(Cl)=NO.c1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C11H9NO.C2H4ClNO/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;1-2(3)4-5/h1-9H;5H,1H3
InChIKeySPDNHDAOWFBLCU-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.91
Rot. Bonds2

About N-hydroxyethanimidoyl chloride;2-phenoxypyridine

N-hydroxyethanimidoyl chloride;2-phenoxypyridine (PubChem CID 86612460) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-hydroxyethanimidoyl chloride;2-phenoxypyridine.

Molecular Properties

Compound NameN-hydroxyethanimidoyl chloride;2-phenoxypyridine
PubChem CID86612460
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-hydroxyethanimidoyl chloride;2-phenoxypyridine
SMILESCC(Cl)=NO.c1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C11H9NO.C2H4ClNO/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;1-2(3)4-5/h1-9H;5H,1H3
InChIKeySPDNHDAOWFBLCU-UHFFFAOYSA-N
XLogP3.91
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.91
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

ethane;2-phenoxypyridine
CID 90835857
N'-methyl-N-(4-pyridin-2-yloxyphenyl)ethanimidamide
CID 144757273
4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid
CID 143039139
phenoxybenzene;2-pyridin-2-ylpyridine
CID 174917355
2-diazo-1-(4-pyridin-2-yloxyphenyl)propan-1-one
CID 54342882
(4-pyridin-2-yloxyphenyl)hydrazine
CID 69019793
1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione
CID 67475111
7-pyridin-2-yloxynaphthalen-2-ol
CID 60870474
1-(6-chloro-3-pyridinyl)ethanone;1-(6-phenoxy-3-pyridinyl)ethanone
CID 161154288
2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine
CID 90870284
4-aminophenol;2-bromopyridine;4-pyridin-2-yloxyaniline
CID 167583845
3-pyridin-2-yloxybenzenesulfonyl chloride
CID 166604318

Frequently Asked Questions

What is the IUPAC name of N-hydroxyethanimidoyl chloride;2-phenoxypyridine?
The IUPAC name of N-hydroxyethanimidoyl chloride;2-phenoxypyridine (CID 86612460) is N-hydroxyethanimidoyl chloride;2-phenoxypyridine.
What is the SMILES notation for N-hydroxyethanimidoyl chloride;2-phenoxypyridine?
The canonical SMILES for N-hydroxyethanimidoyl chloride;2-phenoxypyridine is CC(Cl)=NO.c1ccc(Oc2ccccn2)cc1.
What is the InChIKey of N-hydroxyethanimidoyl chloride;2-phenoxypyridine?
The InChIKey is SPDNHDAOWFBLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO.C2H4ClNO/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;1-2(3)4-5/h1-9H;5H,1H3.
What are the key properties of N-hydroxyethanimidoyl chloride;2-phenoxypyridine?
N-hydroxyethanimidoyl chloride;2-phenoxypyridine has a molecular weight of 264.71 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxyethanimidoyl chloride;2-phenoxypyridine is sourced from PubChem (CID 86612460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).