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

C13H7Cl3FNO2 — CID 133090472

IUPACmethyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(F)n1
InChIInChI=1S/C13H7Cl3FNO2/c1-20-13(19)10-3-2-7(12(17)18-10)8-4-6(14)5-9(15)11(8)16/h2-5H,1H3
InChIKeyKYMPFCCWDFRJOG-UHFFFAOYSA-N
MW334.56 g/mol
LogP4.63
Rot. Bonds2

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

methyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate (PubChem CID 133090472) has the molecular formula C13H7Cl3FNO2 and a molecular weight of 334.56 g/mol. Its IUPAC name is methyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
PubChem CID133090472
Molecular FormulaC13H7Cl3FNO2
Molecular Weight334.56 g/mol
Exact Mass332.95
IUPAC Namemethyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(F)n1
InChIInChI=1S/C13H7Cl3FNO2/c1-20-13(19)10-3-2-7(12(17)18-10)8-4-6(14)5-9(15)11(8)16/h2-5H,1H3
InChIKeyKYMPFCCWDFRJOG-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
CID 133087058
methyl 6-chloro-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylate
CID 134636636
methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636661
methyl 5,6-bis(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylate
CID 134635394
methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
CID 10126602
methyl 6-oxo-5-(2,3,5-trichlorophenyl)-1H-pyridine-3-carboxylate
CID 133092680
methyl 6-oxo-3-(2,3,5-trichlorophenyl)-1H-pyridine-2-carboxylate
CID 133092682
6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 68680448
methyl 5-chloro-8-fluoroquinoline-2-carboxylate
CID 102941497
methyl 3-hydroxy-5-(2,3,5-trichlorophenyl)pyridine-4-carboxylate
CID 133092676
methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate
CID 130063891
methyl 7-chloro-8-fluoroquinoline-2-carboxylate
CID 102941458

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate (CID 133090472) is methyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate is COC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(F)n1.
What is the InChIKey of methyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate?
The InChIKey is KYMPFCCWDFRJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3FNO2/c1-20-13(19)10-3-2-7(12(17)18-10)8-4-6(14)5-9(15)11(8)16/h2-5H,1H3.
What are the key properties of methyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate?
methyl 6-fluoro-5-(2,3,5-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 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 133090472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).