3-[2,6-dichloro-4-(4-ethyl-2-fluorophenyl)-3-pyridinyl]propanal

C16H14Cl2FNO — CID 134396510

IUPAC3-[2,6-dichloro-4-(4-ethyl-2-fluorophenyl)-3-pyridinyl]propanal
SMILESCCc1ccc(-c2cc(Cl)nc(Cl)c2CCC=O)c(F)c1
InChIInChI=1S/C16H14Cl2FNO/c1-2-10-5-6-11(14(19)8-10)13-9-15(17)20-16(18)12(13)4-3-7-21/h5-9H,2-4H2,1H3
InChIKeyFLYQABALCZFTKW-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.89
Rot. Bonds5

About 3-[2,6-dichloro-4-(4-ethyl-2-fluorophenyl)-3-pyridinyl]propanal

3-[2,6-dichloro-4-(4-ethyl-2-fluorophenyl)-3-pyridinyl]propanal (PubChem CID 134396510) has the molecular formula C16H14Cl2FNO and a molecular weight of 326.20 g/mol. Its IUPAC name is 3-[2,6-dichloro-4-(4-ethyl-2-fluorophenyl)-3-pyridinyl]propanal.

Molecular Properties

Compound Name3-[2,6-dichloro-4-(4-ethyl-2-fluorophenyl)-3-pyridinyl]propanal
PubChem CID134396510
Molecular FormulaC16H14Cl2FNO
Molecular Weight326.20 g/mol
Exact Mass325.04
IUPAC Name3-[2,6-dichloro-4-(4-ethyl-2-fluorophenyl)-3-pyridinyl]propanal
SMILESCCc1ccc(-c2cc(Cl)nc(Cl)c2CCC=O)c(F)c1
InChIInChI=1S/C16H14Cl2FNO/c1-2-10-5-6-11(14(19)8-10)13-9-15(17)20-16(18)12(13)4-3-7-21/h5-9H,2-4H2,1H3
InChIKeyFLYQABALCZFTKW-UHFFFAOYSA-N
XLogP4.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.89
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'}

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Related Compounds

3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]propanal;ethane
CID 142316387
3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]propanal
CID 142316388
1-[2,6-dichloro-4-(2-fluoro-4-methylphenyl)-3-pyridinyl]-4-methylpentan-3-one
CID 134396467
3-but-3-enyl-2-chloro-4-(2-fluoro-4-methylphenyl)-6-methylpyridine
CID 134396475
[7-chloro-5-(4-ethyl-2-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol
CID 142316353
1-cyclopropylidene-3-[2,6-dichloro-4-(2-fluoro-4-phosphanylphenyl)-3-pyridinyl]-N-methoxy-N-methylpropan-1-amine
CID 142316539
[7-chloro-5-(4-ethyl-2-fluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol
CID 142316464
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
1-chloro-4-ethyl-2-fluorobenzene;ethane
CID 143692245
4-[2-fluoro-4-(3-oxopropyl)phenyl]benzaldehyde
CID 145122990
4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene
CID 146522341

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dichloro-4-(4-ethyl-2-fluorophenyl)-3-pyridinyl]propanal?
The IUPAC name of 3-[2,6-dichloro-4-(4-ethyl-2-fluorophenyl)-3-pyridinyl]propanal (CID 134396510) is 3-[2,6-dichloro-4-(4-ethyl-2-fluorophenyl)-3-pyridinyl]propanal.
What is the SMILES notation for 3-[2,6-dichloro-4-(4-ethyl-2-fluorophenyl)-3-pyridinyl]propanal?
The canonical SMILES for 3-[2,6-dichloro-4-(4-ethyl-2-fluorophenyl)-3-pyridinyl]propanal is CCc1ccc(-c2cc(Cl)nc(Cl)c2CCC=O)c(F)c1.
What is the InChIKey of 3-[2,6-dichloro-4-(4-ethyl-2-fluorophenyl)-3-pyridinyl]propanal?
The InChIKey is FLYQABALCZFTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO/c1-2-10-5-6-11(14(19)8-10)13-9-15(17)20-16(18)12(13)4-3-7-21/h5-9H,2-4H2,1H3.
What are the key properties of 3-[2,6-dichloro-4-(4-ethyl-2-fluorophenyl)-3-pyridinyl]propanal?
3-[2,6-dichloro-4-(4-ethyl-2-fluorophenyl)-3-pyridinyl]propanal has a molecular weight of 326.20 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dichloro-4-(4-ethyl-2-fluorophenyl)-3-pyridinyl]propanal is sourced from PubChem (CID 134396510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).