(Z)-3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one

C12H8INO2 — CID 93286349

IUPAC(Z)-3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C\c1ccc(I)o1)c1cccnc1
InChIInChI=1S/C12H8INO2/c13-12-6-4-10(16-12)3-5-11(15)9-2-1-7-14-8-9/h1-8H/b5-3-
InChIKeyKTGMOOGKHWHAQC-HYXAFXHYSA-N
MW325.11 g/mol
LogP3.18
Rot. Bonds3

About (Z)-3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one

(Z)-3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one (PubChem CID 93286349) has the molecular formula C12H8INO2 and a molecular weight of 325.11 g/mol. Its IUPAC name is (Z)-3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one
PubChem CID93286349
Molecular FormulaC12H8INO2
Molecular Weight325.11 g/mol
Exact Mass324.96
IUPAC Name(Z)-3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C\c1ccc(I)o1)c1cccnc1
InChIInChI=1S/C12H8INO2/c13-12-6-4-10(16-12)3-5-11(15)9-2-1-7-14-8-9/h1-8H/b5-3-
InChIKeyKTGMOOGKHWHAQC-HYXAFXHYSA-N
XLogP3.18
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.11
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 4227278
(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one
CID 9185084
(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one
CID 19553305
(E)-3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 7946379
3-(2-bromophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 78574297
4-oxo-4-pyridin-3-ylbut-2-enoic acid
CID 53427422
(Z)-4-oxo-4-pyridin-3-ylbut-2-enoic acid
CID 167311390
(E)-3-[5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one
CID 19555026
acetic acid;copper;bis((E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-one)
CID 134081608
N-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide
CID 622324
(E)-3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one
CID 19554940
(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one (CID 93286349) is (Z)-3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one is O=C(/C=C\c1ccc(I)o1)c1cccnc1.
What is the InChIKey of (Z)-3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one?
The InChIKey is KTGMOOGKHWHAQC-HYXAFXHYSA-N. The full InChI is InChI=1S/C12H8INO2/c13-12-6-4-10(16-12)3-5-11(15)9-2-1-7-14-8-9/h1-8H/b5-3-.
What are the key properties of (Z)-3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one?
(Z)-3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one has a molecular weight of 325.11 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 93286349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).