4-ethoxy-3-fluoro-2-methyl-5-nitrosopyridine

C8H9FN2O2 — CID 143850485

IUPAC4-ethoxy-3-fluoro-2-methyl-5-nitrosopyridine
SMILESCCOc1c(N=O)cnc(C)c1F
InChIInChI=1S/C8H9FN2O2/c1-3-13-8-6(11-12)4-10-5(2)7(8)9/h4H,3H2,1-2H3
InChIKeyONIMPOUCMMNNSI-UHFFFAOYSA-N
MW184.17 g/mol
LogP2.33
Rot. Bonds3

About 4-ethoxy-3-fluoro-2-methyl-5-nitrosopyridine

4-ethoxy-3-fluoro-2-methyl-5-nitrosopyridine (PubChem CID 143850485) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-2-methyl-5-nitrosopyridine.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-2-methyl-5-nitrosopyridine
PubChem CID143850485
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name4-ethoxy-3-fluoro-2-methyl-5-nitrosopyridine
SMILESCCOc1c(N=O)cnc(C)c1F
InChIInChI=1S/C8H9FN2O2/c1-3-13-8-6(11-12)4-10-5(2)7(8)9/h4H,3H2,1-2H3
InChIKeyONIMPOUCMMNNSI-UHFFFAOYSA-N
XLogP2.33
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-2-methyl-5-nitrosopyridine?
The IUPAC name of 4-ethoxy-3-fluoro-2-methyl-5-nitrosopyridine (CID 143850485) is 4-ethoxy-3-fluoro-2-methyl-5-nitrosopyridine.
What is the SMILES notation for 4-ethoxy-3-fluoro-2-methyl-5-nitrosopyridine?
The canonical SMILES for 4-ethoxy-3-fluoro-2-methyl-5-nitrosopyridine is CCOc1c(N=O)cnc(C)c1F.
What is the InChIKey of 4-ethoxy-3-fluoro-2-methyl-5-nitrosopyridine?
The InChIKey is ONIMPOUCMMNNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-3-13-8-6(11-12)4-10-5(2)7(8)9/h4H,3H2,1-2H3.
What are the key properties of 4-ethoxy-3-fluoro-2-methyl-5-nitrosopyridine?
4-ethoxy-3-fluoro-2-methyl-5-nitrosopyridine has a molecular weight of 184.17 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-2-methyl-5-nitrosopyridine is sourced from PubChem (CID 143850485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).