4-(6-ethenyl-3-pyridinyl)-5-fluoro-2-methylpyridine;5-(5-fluoro-2-methyl-4-pyridinyl)pyridine-2-carbaldehyde

C25H20F2N4O — CID 161330059

IUPAC4-(6-ethenyl-3-pyridinyl)-5-fluoro-2-methylpyridine;5-(5-fluoro-2-methyl-4-pyridinyl)pyridine-2-carbaldehyde
SMILESC=Cc1ccc(-c2cc(C)ncc2F)cn1.Cc1cc(-c2ccc(C=O)nc2)c(F)cn1
InChIInChI=1S/C13H11FN2.C12H9FN2O/c1-3-11-5-4-10(7-16-11)12-6-9(2)15-8-13(12)14;1-8-4-11(12(13)6-14-8)9-2-3-10(7-16)15-5-9/h3-8H,1H2,2H3;2-7H,1H3
InChIKeyVLHJLKSSYREFCE-UHFFFAOYSA-N
MW430.46 g/mol
LogP5.64
Rot. Bonds4

About 4-(6-ethenyl-3-pyridinyl)-5-fluoro-2-methylpyridine;5-(5-fluoro-2-methyl-4-pyridinyl)pyridine-2-carbaldehyde

4-(6-ethenyl-3-pyridinyl)-5-fluoro-2-methylpyridine;5-(5-fluoro-2-methyl-4-pyridinyl)pyridine-2-carbaldehyde (PubChem CID 161330059) has the molecular formula C25H20F2N4O and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-(6-ethenyl-3-pyridinyl)-5-fluoro-2-methylpyridine;5-(5-fluoro-2-methyl-4-pyridinyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(6-ethenyl-3-pyridinyl)-5-fluoro-2-methylpyridine;5-(5-fluoro-2-methyl-4-pyridinyl)pyridine-2-carbaldehyde
PubChem CID161330059
Molecular FormulaC25H20F2N4O
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name4-(6-ethenyl-3-pyridinyl)-5-fluoro-2-methylpyridine;5-(5-fluoro-2-methyl-4-pyridinyl)pyridine-2-carbaldehyde
SMILESC=Cc1ccc(-c2cc(C)ncc2F)cn1.Cc1cc(-c2ccc(C=O)nc2)c(F)cn1
InChIInChI=1S/C13H11FN2.C12H9FN2O/c1-3-11-5-4-10(7-16-11)12-6-9(2)15-8-13(12)14;1-8-4-11(12(13)6-14-8)9-2-3-10(7-16)15-5-9/h3-8H,1H2,2H3;2-7H,1H3
InChIKeyVLHJLKSSYREFCE-UHFFFAOYSA-N
XLogP5.64
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(6-ethenyl-3-pyridinyl)-5-fluoro-2-methylpyridine;5-(5-fluoro-2-methyl-4-pyridinyl)pyridine-2-carbaldehyde with MolForge

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Launch Full Analysis

Related Compounds

[4-Fluoro-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
CID 163385523
[4-Fluoro-4-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
CID 163385632
[4-Fluoro-4-[[6-(fluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
CID 163385652
[4-Fluoro-4-[(5-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
CID 163385820
[4-[[6-(Difluoromethyl)-3-pyridinyl]methyl]-4-fluoropiperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
CID 163385857
5-Phenylpyridine-2-carbaldehyde
CID 26343603
5-[(Z)-1,2-bis(2-fluorophenyl)ethenyl]-N-butyl-6-pyridin-2-ylpyridine-2-carboxamide
CID 164853051
(E)-3-phenyl-1-(2-pyridyl)prop-2-en-1-one; 2-(2-pyridyl)pyridine; ruthenium(2+); dihexafluorophosphate
CID 6481872
4-([2,2':6',2''-Terpyridin]-4'-yl)benzaldehyde
CID 12118587
US10072003, Example 2-4
CID 118911022
US10072003, Example 3-1A
CID 118911023
US10072003, Example 2-14
CID 118911198

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethenyl-3-pyridinyl)-5-fluoro-2-methylpyridine;5-(5-fluoro-2-methyl-4-pyridinyl)pyridine-2-carbaldehyde?
The IUPAC name of 4-(6-ethenyl-3-pyridinyl)-5-fluoro-2-methylpyridine;5-(5-fluoro-2-methyl-4-pyridinyl)pyridine-2-carbaldehyde (CID 161330059) is 4-(6-ethenyl-3-pyridinyl)-5-fluoro-2-methylpyridine;5-(5-fluoro-2-methyl-4-pyridinyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(6-ethenyl-3-pyridinyl)-5-fluoro-2-methylpyridine;5-(5-fluoro-2-methyl-4-pyridinyl)pyridine-2-carbaldehyde?
The canonical SMILES for 4-(6-ethenyl-3-pyridinyl)-5-fluoro-2-methylpyridine;5-(5-fluoro-2-methyl-4-pyridinyl)pyridine-2-carbaldehyde is C=Cc1ccc(-c2cc(C)ncc2F)cn1.Cc1cc(-c2ccc(C=O)nc2)c(F)cn1.
What is the InChIKey of 4-(6-ethenyl-3-pyridinyl)-5-fluoro-2-methylpyridine;5-(5-fluoro-2-methyl-4-pyridinyl)pyridine-2-carbaldehyde?
The InChIKey is VLHJLKSSYREFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2.C12H9FN2O/c1-3-11-5-4-10(7-16-11)12-6-9(2)15-8-13(12)14;1-8-4-11(12(13)6-14-8)9-2-3-10(7-16)15-5-9/h3-8H,1H2,2H3;2-7H,1H3.
What are the key properties of 4-(6-ethenyl-3-pyridinyl)-5-fluoro-2-methylpyridine;5-(5-fluoro-2-methyl-4-pyridinyl)pyridine-2-carbaldehyde?
4-(6-ethenyl-3-pyridinyl)-5-fluoro-2-methylpyridine;5-(5-fluoro-2-methyl-4-pyridinyl)pyridine-2-carbaldehyde has a molecular weight of 430.46 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethenyl-3-pyridinyl)-5-fluoro-2-methylpyridine;5-(5-fluoro-2-methyl-4-pyridinyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 161330059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).