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

C13H7Cl3FNO2 — CID 134636661

IUPACmethyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2cc(Cl)c(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H7Cl3FNO2/c1-20-13(19)10-3-2-9(17)12(18-10)6-4-7(14)11(16)8(15)5-6/h2-5H,1H3
InChIKeyHHUDWFPIUQBIMW-UHFFFAOYSA-N
MW334.56 g/mol
LogP4.63
Rot. Bonds2

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

methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate (PubChem CID 134636661) has the molecular formula C13H7Cl3FNO2 and a molecular weight of 334.56 g/mol. Its IUPAC name is methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
PubChem CID134636661
Molecular FormulaC13H7Cl3FNO2
Molecular Weight334.56 g/mol
Exact Mass332.95
IUPAC Namemethyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2cc(Cl)c(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H7Cl3FNO2/c1-20-13(19)10-3-2-9(17)12(18-10)6-4-7(14)11(16)8(15)5-6/h2-5H,1H3
InChIKeyHHUDWFPIUQBIMW-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_2', 'substructure': 'N/A'}

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Related Compounds

methyl 3-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636658
methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
CID 10126602
methyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
CID 133090472
methyl 5-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
CID 133087058
methyl 5-chloro-8-fluoroquinoline-2-carboxylate
CID 102941497
methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate
CID 70654789
methyl 5,6-bis(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylate
CID 134635394
methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate
CID 171157588
ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate
CID 176560584
methyl 2,4-bis(3,4,5-trichlorophenyl)-1,3-thiazole-5-carboxylate
CID 134636605
methyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134635513
methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate
CID 130063891

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate (CID 134636661) is methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate is COC(=O)c1ccc(F)c(-c2cc(Cl)c(Cl)c(Cl)c2)n1.
What is the InChIKey of methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate?
The InChIKey is HHUDWFPIUQBIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3FNO2/c1-20-13(19)10-3-2-9(17)12(18-10)6-4-7(14)11(16)8(15)5-6/h2-5H,1H3.
What are the key properties of methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate?
methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-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-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 134636661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).