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

C12H5Cl3FNO — CID 134637530

IUPAC5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cc(F)cnc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C12H5Cl3FNO/c13-7-2-9(11(15)10(14)3-7)12-6(5-18)1-8(16)4-17-12/h1-5H
InChIKeyPRKSASKKLKTFDJ-UHFFFAOYSA-N
MW304.54 g/mol
LogP4.66
Rot. Bonds2

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

5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde (PubChem CID 134637530) has the molecular formula C12H5Cl3FNO and a molecular weight of 304.54 g/mol. Its IUPAC name is 5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
PubChem CID134637530
Molecular FormulaC12H5Cl3FNO
Molecular Weight304.54 g/mol
Exact Mass302.94
IUPAC Name5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1cc(F)cnc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C12H5Cl3FNO/c13-7-2-9(11(15)10(14)3-7)12-6(5-18)1-8(16)4-17-12/h1-5H
InChIKeyPRKSASKKLKTFDJ-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_1', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637533
5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637324
3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637334
2,5-bis(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637848
3-fluoro-5-methoxy-2-(2,3,5-trichlorophenyl)pyridine
CID 134637494
5-chloro-2-(2,3-difluorophenyl)pyridine-3-carbaldehyde
CID 133093654
2-[5,6-bis(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134637233
2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde
CID 118841863
2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid
CID 118824902
2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134637610
5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637089
2-[6-fluoro-2-(2,3,5-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134637599

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde (CID 134637530) is 5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde is O=Cc1cc(F)cnc1-c1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde?
The InChIKey is PRKSASKKLKTFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3FNO/c13-7-2-9(11(15)10(14)3-7)12-6(5-18)1-8(16)4-17-12/h1-5H.
What are the key properties of 5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde?
5-fluoro-2-(2,3,5-trichlorophenyl)pyridine-3-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-2-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 134637530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).