1-[(2Z)-2-ethylidene-3-fluoro-1-pyridinyl]ethanone

C9H10FNO — CID 174310868

IUPAC1-[(2Z)-2-ethylidene-3-fluoro-1-pyridinyl]ethanone
SMILESC/C=C1/C(F)=CC=CN1C(C)=O
InChIInChI=1S/C9H10FNO/c1-3-9-8(10)5-4-6-11(9)7(2)12/h3-6H,1-2H3/b9-3-
InChIKeySMKGMYOFKFKYDI-OQFOIZHKSA-N
MW167.18 g/mol
LogP2.12
Rot. Bonds

About 1-[(2Z)-2-ethylidene-3-fluoro-1-pyridinyl]ethanone

1-[(2Z)-2-ethylidene-3-fluoro-1-pyridinyl]ethanone (PubChem CID 174310868) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 1-[(2Z)-2-ethylidene-3-fluoro-1-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[(2Z)-2-ethylidene-3-fluoro-1-pyridinyl]ethanone
PubChem CID174310868
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name1-[(2Z)-2-ethylidene-3-fluoro-1-pyridinyl]ethanone
SMILESC/C=C1/C(F)=CC=CN1C(C)=O
InChIInChI=1S/C9H10FNO/c1-3-9-8(10)5-4-6-11(9)7(2)12/h3-6H,1-2H3/b9-3-
InChIKeySMKGMYOFKFKYDI-OQFOIZHKSA-N
XLogP2.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(2Z)-2-ethylidene-3-fluoro-1-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-2-ethylidene-3-fluoro-1-pyridinyl]ethanone?
The IUPAC name of 1-[(2Z)-2-ethylidene-3-fluoro-1-pyridinyl]ethanone (CID 174310868) is 1-[(2Z)-2-ethylidene-3-fluoro-1-pyridinyl]ethanone.
What is the SMILES notation for 1-[(2Z)-2-ethylidene-3-fluoro-1-pyridinyl]ethanone?
The canonical SMILES for 1-[(2Z)-2-ethylidene-3-fluoro-1-pyridinyl]ethanone is C/C=C1/C(F)=CC=CN1C(C)=O.
What is the InChIKey of 1-[(2Z)-2-ethylidene-3-fluoro-1-pyridinyl]ethanone?
The InChIKey is SMKGMYOFKFKYDI-OQFOIZHKSA-N. The full InChI is InChI=1S/C9H10FNO/c1-3-9-8(10)5-4-6-11(9)7(2)12/h3-6H,1-2H3/b9-3-.
What are the key properties of 1-[(2Z)-2-ethylidene-3-fluoro-1-pyridinyl]ethanone?
1-[(2Z)-2-ethylidene-3-fluoro-1-pyridinyl]ethanone has a molecular weight of 167.18 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-ethylidene-3-fluoro-1-pyridinyl]ethanone is sourced from PubChem (CID 174310868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).