2-ethyl-3-fluoro-5-(methoxymethoxymethyl)pyridine;(6-ethyl-5-fluoro-3-pyridinyl)methanol

C18H24F2N2O3 — CID 159259193

IUPAC2-ethyl-3-fluoro-5-(methoxymethoxymethyl)pyridine;(6-ethyl-5-fluoro-3-pyridinyl)methanol
SMILESCCc1ncc(CO)cc1F.CCc1ncc(COCOC)cc1F
InChIInChI=1S/C10H14FNO2.C8H10FNO/c1-3-10-9(11)4-8(5-12-10)6-14-7-13-2;1-2-8-7(9)3-6(5-11)4-10-8/h4-5H,3,6-7H2,1-2H3;3-4,11H,2,5H2,1H3
InChIKeyKWHDAXZIEMCFAS-UHFFFAOYSA-N
MW354.40 g/mol
LogP3.18
Rot. Bonds7

About 2-ethyl-3-fluoro-5-(methoxymethoxymethyl)pyridine;(6-ethyl-5-fluoro-3-pyridinyl)methanol

2-ethyl-3-fluoro-5-(methoxymethoxymethyl)pyridine;(6-ethyl-5-fluoro-3-pyridinyl)methanol (PubChem CID 159259193) has the molecular formula C18H24F2N2O3 and a molecular weight of 354.40 g/mol. Its IUPAC name is 2-ethyl-3-fluoro-5-(methoxymethoxymethyl)pyridine;(6-ethyl-5-fluoro-3-pyridinyl)methanol.

Molecular Properties

Compound Name2-ethyl-3-fluoro-5-(methoxymethoxymethyl)pyridine;(6-ethyl-5-fluoro-3-pyridinyl)methanol
PubChem CID159259193
Molecular FormulaC18H24F2N2O3
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name2-ethyl-3-fluoro-5-(methoxymethoxymethyl)pyridine;(6-ethyl-5-fluoro-3-pyridinyl)methanol
SMILESCCc1ncc(CO)cc1F.CCc1ncc(COCOC)cc1F
InChIInChI=1S/C10H14FNO2.C8H10FNO/c1-3-10-9(11)4-8(5-12-10)6-14-7-13-2;1-2-8-7(9)3-6(5-11)4-10-8/h4-5H,3,6-7H2,1-2H3;3-4,11H,2,5H2,1H3
InChIKeyKWHDAXZIEMCFAS-UHFFFAOYSA-N
XLogP3.18
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-fluoro-5-(methoxymethoxymethyl)pyridine;(6-ethyl-5-fluoro-3-pyridinyl)methanol?
The IUPAC name of 2-ethyl-3-fluoro-5-(methoxymethoxymethyl)pyridine;(6-ethyl-5-fluoro-3-pyridinyl)methanol (CID 159259193) is 2-ethyl-3-fluoro-5-(methoxymethoxymethyl)pyridine;(6-ethyl-5-fluoro-3-pyridinyl)methanol.
What is the SMILES notation for 2-ethyl-3-fluoro-5-(methoxymethoxymethyl)pyridine;(6-ethyl-5-fluoro-3-pyridinyl)methanol?
The canonical SMILES for 2-ethyl-3-fluoro-5-(methoxymethoxymethyl)pyridine;(6-ethyl-5-fluoro-3-pyridinyl)methanol is CCc1ncc(CO)cc1F.CCc1ncc(COCOC)cc1F.
What is the InChIKey of 2-ethyl-3-fluoro-5-(methoxymethoxymethyl)pyridine;(6-ethyl-5-fluoro-3-pyridinyl)methanol?
The InChIKey is KWHDAXZIEMCFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2.C8H10FNO/c1-3-10-9(11)4-8(5-12-10)6-14-7-13-2;1-2-8-7(9)3-6(5-11)4-10-8/h4-5H,3,6-7H2,1-2H3;3-4,11H,2,5H2,1H3.
What are the key properties of 2-ethyl-3-fluoro-5-(methoxymethoxymethyl)pyridine;(6-ethyl-5-fluoro-3-pyridinyl)methanol?
2-ethyl-3-fluoro-5-(methoxymethoxymethyl)pyridine;(6-ethyl-5-fluoro-3-pyridinyl)methanol has a molecular weight of 354.40 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-fluoro-5-(methoxymethoxymethyl)pyridine;(6-ethyl-5-fluoro-3-pyridinyl)methanol is sourced from PubChem (CID 159259193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).