2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-4-carbaldehyde

C12H3F6NO — CID 133088695

IUPAC2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(F)nc(-c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C12H3F6NO/c13-6-2-4(3-20)1-5(19-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-3H
InChIKeyJNCZPPXCEGPLGH-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.40
Rot. Bonds2

About 2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-4-carbaldehyde

2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-4-carbaldehyde (PubChem CID 133088695) has the molecular formula C12H3F6NO and a molecular weight of 291.15 g/mol. Its IUPAC name is 2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-4-carbaldehyde
PubChem CID133088695
Molecular FormulaC12H3F6NO
Molecular Weight291.15 g/mol
Exact Mass291.01
IUPAC Name2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(F)nc(-c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C12H3F6NO/c13-6-2-4(3-20)1-5(19-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-3H
InChIKeyJNCZPPXCEGPLGH-UHFFFAOYSA-N
XLogP3.40
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.40
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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-4-carbaldehyde
CID 133090240
2-fluoro-6-(2,3,6-trichlorophenyl)pyridine-4-carbaldehyde
CID 134637526
2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-4-carbaldehyde
CID 133090241
2-amino-6-fluoropyridine-4-carbaldehyde
CID 131189118
6-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde
CID 133093639
2-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-4-carbaldehyde
CID 131955075
2-fluoro-5-formylbenzene-1,3-dicarbonitrile
CID 154726103
2-(2,6-difluoro-4-formylphenyl)-1,3-thiazole-4-carbaldehyde
CID 143858625
2-methoxy-6-phenylpyridine-4-carbaldehyde
CID 131526477
2-chloro-6-(2,4-dichlorophenyl)pyridine-4-carbaldehyde
CID 91871877
4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]benzaldehyde
CID 136915978
3-bromo-4-fluoro-5-hydroxybenzaldehyde
CID 84786434

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-4-carbaldehyde (CID 133088695) is 2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-4-carbaldehyde is O=Cc1cc(F)nc(-c2c(F)c(F)c(F)c(F)c2F)c1.
What is the InChIKey of 2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-4-carbaldehyde?
The InChIKey is JNCZPPXCEGPLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3F6NO/c13-6-2-4(3-20)1-5(19-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-3H.
What are the key properties of 2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-4-carbaldehyde?
2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-4-carbaldehyde has a molecular weight of 291.15 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 133088695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).