2-[[6-(1-nitrosoethyl)naphthalen-2-yl]oxymethyl]pyridine

C18H16N2O2 — CID 54027272

IUPAC2-[[6-(1-nitrosoethyl)naphthalen-2-yl]oxymethyl]pyridine
SMILESCC(N=O)c1ccc2cc(OCc3ccccn3)ccc2c1
InChIInChI=1S/C18H16N2O2/c1-13(20-21)14-5-6-16-11-18(8-7-15(16)10-14)22-12-17-4-2-3-9-19-17/h2-11,13H,12H2,1H3
InChIKeyLDBPXBCWXKLLDW-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.64
Rot. Bonds5

About 2-[[6-(1-nitrosoethyl)naphthalen-2-yl]oxymethyl]pyridine

2-[[6-(1-nitrosoethyl)naphthalen-2-yl]oxymethyl]pyridine (PubChem CID 54027272) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[[6-(1-nitrosoethyl)naphthalen-2-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name2-[[6-(1-nitrosoethyl)naphthalen-2-yl]oxymethyl]pyridine
PubChem CID54027272
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-[[6-(1-nitrosoethyl)naphthalen-2-yl]oxymethyl]pyridine
SMILESCC(N=O)c1ccc2cc(OCc3ccccn3)ccc2c1
InChIInChI=1S/C18H16N2O2/c1-13(20-21)14-5-6-16-11-18(8-7-15(16)10-14)22-12-17-4-2-3-9-19-17/h2-11,13H,12H2,1H3
InChIKeyLDBPXBCWXKLLDW-UHFFFAOYSA-N
XLogP4.64
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 30121102
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2-methoxy-5-(pyridin-2-ylmethoxy)aniline
CID 103201474
2-[(3,4-dichlorophenoxy)methyl]pyridine
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2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide
CID 75509167
3-(pyridin-2-ylmethoxy)benzenethiol
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6-bromonaphthalen-1-ol;2-[(6-bromonaphthalen-2-yl)oxymethyl]pyridine
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2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
ethyl 6-(pyridin-2-ylmethoxy)-1-benzothiophene-2-carboxylate
CID 169229591
1,7-bis[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 142718830
1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
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CID 55959044

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(1-nitrosoethyl)naphthalen-2-yl]oxymethyl]pyridine?
The IUPAC name of 2-[[6-(1-nitrosoethyl)naphthalen-2-yl]oxymethyl]pyridine (CID 54027272) is 2-[[6-(1-nitrosoethyl)naphthalen-2-yl]oxymethyl]pyridine.
What is the SMILES notation for 2-[[6-(1-nitrosoethyl)naphthalen-2-yl]oxymethyl]pyridine?
The canonical SMILES for 2-[[6-(1-nitrosoethyl)naphthalen-2-yl]oxymethyl]pyridine is CC(N=O)c1ccc2cc(OCc3ccccn3)ccc2c1.
What is the InChIKey of 2-[[6-(1-nitrosoethyl)naphthalen-2-yl]oxymethyl]pyridine?
The InChIKey is LDBPXBCWXKLLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13(20-21)14-5-6-16-11-18(8-7-15(16)10-14)22-12-17-4-2-3-9-19-17/h2-11,13H,12H2,1H3.
What are the key properties of 2-[[6-(1-nitrosoethyl)naphthalen-2-yl]oxymethyl]pyridine?
2-[[6-(1-nitrosoethyl)naphthalen-2-yl]oxymethyl]pyridine has a molecular weight of 292.34 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(1-nitrosoethyl)naphthalen-2-yl]oxymethyl]pyridine is sourced from PubChem (CID 54027272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).