2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine

C13H11ClN2O2 — CID 90870284

IUPAC2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine
SMILESO=NC(Cl)Cc1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C13H11ClN2O2/c14-12(16-17)9-10-4-6-11(7-5-10)18-13-3-1-2-8-15-13/h1-8,12H,9H2
InChIKeyLNRVXIWQYWOEFK-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.75
Rot. Bonds5

About 2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine

2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine (PubChem CID 90870284) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine.

Molecular Properties

Compound Name2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine
PubChem CID90870284
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine
SMILESO=NC(Cl)Cc1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C13H11ClN2O2/c14-12(16-17)9-10-4-6-11(7-5-10)18-13-3-1-2-8-15-13/h1-8,12H,9H2
InChIKeyLNRVXIWQYWOEFK-UHFFFAOYSA-N
XLogP3.75
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-2-nitrosoethyl)-4-(2-fluorophenoxy)benzene
CID 91152313
2-[(4-pyridin-2-yloxyphenyl)methyl]isoindole-1,3-dione
CID 58801143
1-(2-chloro-2-nitrosoethyl)-3-phenoxybenzene
CID 91092835
2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-4-fluoropyridine
CID 91046639
2-methyl-N-[(4-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120055
(4-pyridin-2-yloxyphenyl)hydrazine
CID 69019793
ethane;2-phenoxypyridine
CID 90835857
(1R)-1-(3-chlorophenyl)-3-[(4-pyridin-2-yloxyphenyl)methyl]butane-1,4-diol
CID 57172090
4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid
CID 143039139
2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-5-methylpyridine
CID 91177631
2-[4-(2-pyrrolidin-1-ylethyl)phenoxy]pyridine
CID 141236545
N-hydroxyethanimidoyl chloride;2-phenoxypyridine
CID 86612460

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine?
The IUPAC name of 2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine (CID 90870284) is 2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine.
What is the SMILES notation for 2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine?
The canonical SMILES for 2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine is O=NC(Cl)Cc1ccc(Oc2ccccn2)cc1.
What is the InChIKey of 2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine?
The InChIKey is LNRVXIWQYWOEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-12(16-17)9-10-4-6-11(7-5-10)18-13-3-1-2-8-15-13/h1-8,12H,9H2.
What are the key properties of 2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine?
2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine has a molecular weight of 262.70 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-2-nitrosoethyl)phenoxy]pyridine is sourced from PubChem (CID 90870284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).