2-chloro-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid

C24H14BClF8N4O4 — CID 157131465

IUPAC2-chloro-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid
SMILESO=Cc1cc(-c2ccc(C(F)(F)F)nc2)ncc1F.O=Cc1cc(Cl)ncc1F.OB(O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H6F4N2O.C6H5BF3NO2.C6H3ClFNO/c13-9-5-17-10(3-8(9)6-19)7-1-2-11(18-4-7)12(14,15)16;8-6(9,10)5-2-1-4(3-11-5)7(12)13;7-6-1-4(3-10)5(8)2-9-6/h1-6H;1-3,12-13H;1-3H
InChIKeyAJCYPMWTMILBHC-UHFFFAOYSA-N
MW620.65 g/mol
LogP4.58
Rot. Bonds4

About 2-chloro-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid

2-chloro-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid (PubChem CID 157131465) has the molecular formula C24H14BClF8N4O4 and a molecular weight of 620.65 g/mol. Its IUPAC name is 2-chloro-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name2-chloro-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid
PubChem CID157131465
Molecular FormulaC24H14BClF8N4O4
Molecular Weight620.65 g/mol
Exact Mass620.07
IUPAC Name2-chloro-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid
SMILESO=Cc1cc(-c2ccc(C(F)(F)F)nc2)ncc1F.O=Cc1cc(Cl)ncc1F.OB(O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H6F4N2O.C6H5BF3NO2.C6H3ClFNO/c13-9-5-17-10(3-8(9)6-19)7-1-2-11(18-4-7)12(14,15)16;8-6(9,10)5-2-1-4(3-11-5)7(12)13;7-6-1-4(3-10)5(8)2-9-6/h1-6H;1-3,12-13H;1-3H
InChIKeyAJCYPMWTMILBHC-UHFFFAOYSA-N
XLogP4.58
TPSA126.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.65
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-chloro-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid with MolForge

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

Launch Full Analysis

Related Compounds

5-Fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methanamine
CID 157235483
2-Chloro-5-fluoropyridine-3-carbaldehyde;2-chloro-6-methylpyridine-3-carbaldehyde;2-chloro-5-phenylpyridine-3-carbaldehyde;2-chloropyridine-3-carbaldehyde;2-chloro-4-(trifluoromethyl)pyridine-3-carbaldehyde;2,5-dichloropyridine-3-carbaldehyde
CID 160429570
2-Bromo-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 161426927
4-Chloro-5-fluoro-6-[6-(trifluoromethyl)pyridin-3-yl]pyridine-2-carbaldehyde
CID 151221133
2-Chloro-5-(trifluoromethyl)pyridine;1-(3-fluorophenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]ethanone
CID 161474043
2-Chloropyridine-4-carbaldehyde;2-phenylpyridine-4-carbaldehyde
CID 157820822
2-Chloro-4-[4-(difluoromethyl)phenyl]-5-fluoropyridine;4-(2-chloro-5-fluoro-4-pyridinyl)benzaldehyde
CID 158942060
3-Chloro-5-ethenyl-2-(6-methyl-3-pyridinyl)pyridine;5-(3-chloro-5-ethenyl-2-pyridinyl)pyridine-2-carbaldehyde;selenium dioxide
CID 159498738
2-Chloro-5-fluoro-4-iodopyridine;4-(2-chloro-5-fluoro-4-pyridinyl)benzaldehyde;(4-formylphenyl)boronic acid
CID 159868196
4-(3-Chloro-5-ethenyl-2-pyridinyl)benzaldehyde;2,3-dichloro-5-ethenylpyridine;(4-formylphenyl)boronic acid
CID 161220400
4-(6-Ethenyl-3-pyridinyl)-5-fluoro-2-methylpyridine;5-(5-fluoro-2-methyl-4-pyridinyl)pyridine-2-carbaldehyde
CID 161330059
4-Chloropyridine-2-carbaldehyde;4-pyridin-3-ylpyridine-2-carbaldehyde
CID 161522489

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid?
The IUPAC name of 2-chloro-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid (CID 157131465) is 2-chloro-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid.
What is the SMILES notation for 2-chloro-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid?
The canonical SMILES for 2-chloro-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid is O=Cc1cc(-c2ccc(C(F)(F)F)nc2)ncc1F.O=Cc1cc(Cl)ncc1F.OB(O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-chloro-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid?
The InChIKey is AJCYPMWTMILBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4N2O.C6H5BF3NO2.C6H3ClFNO/c13-9-5-17-10(3-8(9)6-19)7-1-2-11(18-4-7)12(14,15)16;8-6(9,10)5-2-1-4(3-11-5)7(12)13;7-6-1-4(3-10)5(8)2-9-6/h1-6H;1-3,12-13H;1-3H.
What are the key properties of 2-chloro-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid?
2-chloro-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid has a molecular weight of 620.65 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 157131465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).