ethyl (3E)-3-[(5-fluoro-4-methyl-2-methylidene-1-pyridinyl)methylidene]pentanoate

C15H20FNO2 — CID 169245370

IUPACethyl (3E)-3-[(5-fluoro-4-methyl-2-methylidene-1-pyridinyl)methylidene]pentanoate
SMILESC=C1C=C(C)C(F)=CN1/C=C(\CC)CC(=O)OCC
InChIInChI=1S/C15H20FNO2/c1-5-13(8-15(18)19-6-2)9-17-10-14(16)11(3)7-12(17)4/h7,9-10H,4-6,8H2,1-3H3/b13-9+
InChIKeyMKOIUZZUMWYLJH-UKTHLTGXSA-N
MW265.33 g/mol
LogP3.82
Rot. Bonds5

About ethyl (3E)-3-[(5-fluoro-4-methyl-2-methylidene-1-pyridinyl)methylidene]pentanoate

ethyl (3E)-3-[(5-fluoro-4-methyl-2-methylidene-1-pyridinyl)methylidene]pentanoate (PubChem CID 169245370) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl (3E)-3-[(5-fluoro-4-methyl-2-methylidene-1-pyridinyl)methylidene]pentanoate.

Molecular Properties

Compound Nameethyl (3E)-3-[(5-fluoro-4-methyl-2-methylidene-1-pyridinyl)methylidene]pentanoate
PubChem CID169245370
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameethyl (3E)-3-[(5-fluoro-4-methyl-2-methylidene-1-pyridinyl)methylidene]pentanoate
SMILESC=C1C=C(C)C(F)=CN1/C=C(\CC)CC(=O)OCC
InChIInChI=1S/C15H20FNO2/c1-5-13(8-15(18)19-6-2)9-17-10-14(16)11(3)7-12(17)4/h7,9-10H,4-6,8H2,1-3H3/b13-9+
InChIKeyMKOIUZZUMWYLJH-UKTHLTGXSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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diethyl propanedioate;titanium
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diethyl propanedioate;ethane
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CID 143366239
potassium;diethyl propanedioate;sulfanide
CID 159289328
butane;diethyl propanedioate
CID 87110467
diethyl (Z)-3,6-dioxooct-4-enedioate
CID 141136396
ethyl (E)-4-ethylhex-4-enoate
CID 25229380
ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate
CID 82322076

Frequently Asked Questions

What is the IUPAC name of ethyl (3E)-3-[(5-fluoro-4-methyl-2-methylidene-1-pyridinyl)methylidene]pentanoate?
The IUPAC name of ethyl (3E)-3-[(5-fluoro-4-methyl-2-methylidene-1-pyridinyl)methylidene]pentanoate (CID 169245370) is ethyl (3E)-3-[(5-fluoro-4-methyl-2-methylidene-1-pyridinyl)methylidene]pentanoate.
What is the SMILES notation for ethyl (3E)-3-[(5-fluoro-4-methyl-2-methylidene-1-pyridinyl)methylidene]pentanoate?
The canonical SMILES for ethyl (3E)-3-[(5-fluoro-4-methyl-2-methylidene-1-pyridinyl)methylidene]pentanoate is C=C1C=C(C)C(F)=CN1/C=C(\CC)CC(=O)OCC.
What is the InChIKey of ethyl (3E)-3-[(5-fluoro-4-methyl-2-methylidene-1-pyridinyl)methylidene]pentanoate?
The InChIKey is MKOIUZZUMWYLJH-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-5-13(8-15(18)19-6-2)9-17-10-14(16)11(3)7-12(17)4/h7,9-10H,4-6,8H2,1-3H3/b13-9+.
What are the key properties of ethyl (3E)-3-[(5-fluoro-4-methyl-2-methylidene-1-pyridinyl)methylidene]pentanoate?
ethyl (3E)-3-[(5-fluoro-4-methyl-2-methylidene-1-pyridinyl)methylidene]pentanoate has a molecular weight of 265.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3E)-3-[(5-fluoro-4-methyl-2-methylidene-1-pyridinyl)methylidene]pentanoate is sourced from PubChem (CID 169245370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).