methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate

C13H7Cl3FNO2 — CID 133090464

IUPACmethyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2c(Cl)ccc(Cl)c2Cl)ncc1F
InChIInChI=1S/C13H7Cl3FNO2/c1-20-13(19)6-4-10(18-5-9(6)17)11-7(14)2-3-8(15)12(11)16/h2-5H,1H3
InChIKeyMSZHPDGMLUVCBZ-UHFFFAOYSA-N
MW334.56 g/mol
LogP4.63
Rot. Bonds2

About methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate

methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate (PubChem CID 133090464) 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-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
PubChem CID133090464
Molecular FormulaC13H7Cl3FNO2
Molecular Weight334.56 g/mol
Exact Mass332.95
IUPAC Namemethyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2c(Cl)ccc(Cl)c2Cl)ncc1F
InChIInChI=1S/C13H7Cl3FNO2/c1-20-13(19)6-4-10(18-5-9(6)17)11-7(14)2-3-8(15)12(11)16/h2-5H,1H3
InChIKeyMSZHPDGMLUVCBZ-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 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate
CID 133090729
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133090466
methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133091002
methyl 6-chloro-5-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133087929
methyl 4,7,8-trichloroquinoline-3-carboxylate
CID 102614405
methyl 4,8-dichloro-5-fluoroquinoline-3-carboxylate
CID 107528768
methyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133087927
methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate
CID 133090529
methyl 2,4-dichloro-3-(1,2,5-thiadiazol-3-yl)benzoate
CID 56993361
methyl 2-ethoxy-5-fluoropyridine-4-carboxylate
CID 118989859
methyl 2-chloro-5-(5-fluoropyrimidin-2-yl)benzoate
CID 167496125
methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate
CID 59678159

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate?
The IUPAC name of methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate (CID 133090464) is methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate is COC(=O)c1cc(-c2c(Cl)ccc(Cl)c2Cl)ncc1F.
What is the InChIKey of methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate?
The InChIKey is MSZHPDGMLUVCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3FNO2/c1-20-13(19)6-4-10(18-5-9(6)17)11-7(14)2-3-8(15)12(11)16/h2-5H,1H3.
What are the key properties of methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate?
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-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-4-carboxylate is sourced from PubChem (CID 133090464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).