5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde

C12H5Cl3FNO — CID 133090311

IUPAC5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(F)cc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H5Cl3FNO/c13-9-2-1-7(11(14)12(9)15)8-3-6(16)4-17-10(8)5-18/h1-5H
InChIKeyIRBWCSYISLOOFR-UHFFFAOYSA-N
MW304.54 g/mol
LogP4.66
Rot. Bonds2

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

5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde (PubChem CID 133090311) has the molecular formula C12H5Cl3FNO and a molecular weight of 304.54 g/mol. Its IUPAC name is 5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde
PubChem CID133090311
Molecular FormulaC12H5Cl3FNO
Molecular Weight304.54 g/mol
Exact Mass302.94
IUPAC Name5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(F)cc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H5Cl3FNO/c13-9-2-1-7(11(14)12(9)15)8-3-6(16)4-17-10(8)5-18/h1-5H
InChIKeyIRBWCSYISLOOFR-UHFFFAOYSA-N
XLogP4.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.54
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[5-fluoro-3-(2,3,4-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133090411
5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde
CID 133091105
4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine
CID 133090114
3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde
CID 134635841
5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637089
3-(2,3-dichlorophenyl)-2,5-difluoropyridine
CID 133090714
5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 133089187
6-fluoro-4-(2,3,4-trichlorophenyl)pyridin-3-ol
CID 133092229
6-chloro-5-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde
CID 134636047
5-chloro-3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde
CID 133093625
5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637530
3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134621675

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde?
The IUPAC name of 5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde (CID 133090311) is 5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde?
The canonical SMILES for 5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde is O=Cc1ncc(F)cc1-c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde?
The InChIKey is IRBWCSYISLOOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3FNO/c13-9-2-1-7(11(14)12(9)15)8-3-6(16)4-17-10(8)5-18/h1-5H.
What are the key properties of 5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde?
5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde has a molecular weight of 304.54 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 133090311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).