3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enal

C8H5FINO — CID 169460168

IUPAC3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enal
SMILESO=CC=Cc1c(I)ccnc1F
InChIInChI=1S/C8H5FINO/c9-8-6(2-1-5-12)7(10)3-4-11-8/h1-5H
InChIKeyMWEWJLBQGTZBFQ-UHFFFAOYSA-N
MW277.04 g/mol
LogP2.04
Rot. Bonds2

About 3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enal

3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enal (PubChem CID 169460168) has the molecular formula C8H5FINO and a molecular weight of 277.04 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enal.

Molecular Properties

Compound Name3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enal
PubChem CID169460168
Molecular FormulaC8H5FINO
Molecular Weight277.04 g/mol
Exact Mass276.94
IUPAC Name3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enal
SMILESO=CC=Cc1c(I)ccnc1F
InChIInChI=1S/C8H5FINO/c9-8-6(2-1-5-12)7(10)3-4-11-8/h1-5H
InChIKeyMWEWJLBQGTZBFQ-UHFFFAOYSA-N
XLogP2.04
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.04
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enal?
The IUPAC name of 3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enal (CID 169460168) is 3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enal.
What is the SMILES notation for 3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enal?
The canonical SMILES for 3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enal is O=CC=Cc1c(I)ccnc1F.
What is the InChIKey of 3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enal?
The InChIKey is MWEWJLBQGTZBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FINO/c9-8-6(2-1-5-12)7(10)3-4-11-8/h1-5H.
What are the key properties of 3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enal?
3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enal has a molecular weight of 277.04 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enal is sourced from PubChem (CID 169460168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).