methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate

C13H7Cl3FNO2 — CID 133090466

IUPACmethyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(F)cnc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl3FNO2/c1-20-13(19)7-4-6(17)5-18-12(7)10-8(14)2-3-9(15)11(10)16/h2-5H,1H3
InChIKeyWEACLCITADEWRI-UHFFFAOYSA-N
MW334.56 g/mol
LogP4.63
Rot. Bonds2

About methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate

methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate (PubChem CID 133090466) has the molecular formula C13H7Cl3FNO2 and a molecular weight of 334.56 g/mol. Its IUPAC name is methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
PubChem CID133090466
Molecular FormulaC13H7Cl3FNO2
Molecular Weight334.56 g/mol
Exact Mass332.95
IUPAC Namemethyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(F)cnc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl3FNO2/c1-20-13(19)7-4-6(17)5-18-12(7)10-8(14)2-3-9(15)11(10)16/h2-5H,1H3
InChIKeyWEACLCITADEWRI-UHFFFAOYSA-N
XLogP4.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.56
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133090464
methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133091002
methyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133087927
5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637089
methyl 2-chloro-5-(5-fluoropyrimidin-2-yl)benzoate
CID 167496125
methyl 4,7,8-trichloroquinoline-3-carboxylate
CID 102614405
methyl 3-chloro-5-fluoropyridine-2-carboxylate
CID 46311235
methyl 2,3-dichloro-5-fluorobenzoate
CID 121228327
5-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine-3-carboxylic acid
CID 133089990
methyl 6-chloro-5-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133087929
methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate
CID 133090529
methyl 2-oxo-3-(2,3,6-trichlorophenyl)-1H-pyridine-4-carboxylate
CID 133092673

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate (CID 133090466) is methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate is COC(=O)c1cc(F)cnc1-c1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate?
The InChIKey is WEACLCITADEWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3FNO2/c1-20-13(19)7-4-6(17)5-18-12(7)10-8(14)2-3-9(15)11(10)16/h2-5H,1H3.
What are the key properties of methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate?
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate has a molecular weight of 334.56 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 133090466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).