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

C13H7Cl3FNO2 — CID 133091002

IUPACmethyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(F)c1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl3FNO2/c1-20-13(19)6-4-5-18-12(17)9(6)10-7(14)2-3-8(15)11(10)16/h2-5H,1H3
InChIKeyNFQJLVOZVJLMBW-UHFFFAOYSA-N
MW334.56 g/mol
LogP4.63
Rot. Bonds2

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

methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate (PubChem CID 133091002) has the molecular formula C13H7Cl3FNO2 and a molecular weight of 334.56 g/mol. Its IUPAC name is methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
PubChem CID133091002
Molecular FormulaC13H7Cl3FNO2
Molecular Weight334.56 g/mol
Exact Mass332.95
IUPAC Namemethyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(F)c1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl3FNO2/c1-20-13(19)6-4-5-18-12(17)9(6)10-7(14)2-3-8(15)11(10)16/h2-5H,1H3
InChIKeyNFQJLVOZVJLMBW-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133090466
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133090464
methyl 2-fluoro-3-methylpyridine-4-carboxylate
CID 118989256
methyl 2-oxo-3-(2,3,6-trichlorophenyl)-1H-pyridine-4-carboxylate
CID 133092673
methyl 4,7,8-trichloroquinoline-3-carboxylate
CID 102614405
methyl 6-chloro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133087927
methyl 2,4-dichloro-3-fluorobenzoate
CID 121228328
3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid
CID 134637312
methyl 3-chloro-2-pyridin-4-ylpyridine-4-carboxylate
CID 46317559
methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
CID 134636559
2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)pyridine-4-carboxylic acid
CID 133089976
methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate
CID 133090529

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate (CID 133091002) is methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate is COC(=O)c1ccnc(F)c1-c1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate?
The InChIKey is NFQJLVOZVJLMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3FNO2/c1-20-13(19)6-4-5-18-12(17)9(6)10-7(14)2-3-8(15)11(10)16/h2-5H,1H3.
What are the key properties of methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate?
methyl 2-fluoro-3-(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 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate is sourced from PubChem (CID 133091002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).