(2E)-2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione

C11H10FNO2 — CID 90276186

IUPAC(2E)-2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione
SMILESC/C=C(\C(C)=O)C(=O)c1ncccc1F
InChIInChI=1S/C11H10FNO2/c1-3-8(7(2)14)11(15)10-9(12)5-4-6-13-10/h3-6H,1-2H3/b8-3+
InChIKeyOSUHPCHZODILEM-FPYGCLRLSA-N
MW207.20 g/mol
LogP1.94
Rot. Bonds3

About (2E)-2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione

(2E)-2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione (PubChem CID 90276186) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is (2E)-2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione.

Molecular Properties

Compound Name(2E)-2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione
PubChem CID90276186
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name(2E)-2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione
SMILESC/C=C(\C(C)=O)C(=O)c1ncccc1F
InChIInChI=1S/C11H10FNO2/c1-3-8(7(2)14)11(15)10-9(12)5-4-6-13-10/h3-6H,1-2H3/b8-3+
InChIKeyOSUHPCHZODILEM-FPYGCLRLSA-N
XLogP1.94
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione
CID 148826294
(E)-3-(dimethylamino)-2-(3-fluoropyridine-2-carbonyl)prop-2-enoic acid
CID 90272115
1-(3-chloropyrazin-2-yl)-2-ethylidenebutane-1,3-dione
CID 158489367
CID 140752568
CID 140752568
1-(3-fluoro-2-pyridinyl)propan-2-one
CID 63198717
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
acetic acid;3-fluoro-2-methylpyridine
CID 175599570
3-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 110474737
2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 112653415
3-fluoro-N-methyl-N-(1-methylcyclopropyl)pyridine-2-carboxamide
CID 172858833
(3-fluoro-2-pyridinyl) acetate
CID 15091012
2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730026

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione?
The IUPAC name of (2E)-2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione (CID 90276186) is (2E)-2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione.
What is the SMILES notation for (2E)-2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione?
The canonical SMILES for (2E)-2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione is C/C=C(\C(C)=O)C(=O)c1ncccc1F.
What is the InChIKey of (2E)-2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione?
The InChIKey is OSUHPCHZODILEM-FPYGCLRLSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-3-8(7(2)14)11(15)10-9(12)5-4-6-13-10/h3-6H,1-2H3/b8-3+.
What are the key properties of (2E)-2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione?
(2E)-2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione has a molecular weight of 207.20 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione is sourced from PubChem (CID 90276186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).