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

C13H7Cl3FNO2 — CID 134636624

IUPACmethyl 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2cc(Cl)c(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C13H7Cl3FNO2/c1-20-13(19)12-10(17)4-7(5-18-12)6-2-8(14)11(16)9(15)3-6/h2-5H,1H3
InChIKeyNJNKEQIPVFALJR-UHFFFAOYSA-N
MW334.56 g/mol
LogP4.63
Rot. Bonds2

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

methyl 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate (PubChem CID 134636624) has the molecular formula C13H7Cl3FNO2 and a molecular weight of 334.56 g/mol. Its IUPAC name is methyl 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
PubChem CID134636624
Molecular FormulaC13H7Cl3FNO2
Molecular Weight334.56 g/mol
Exact Mass332.95
IUPAC Namemethyl 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2cc(Cl)c(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C13H7Cl3FNO2/c1-20-13(19)12-10(17)4-7(5-18-12)6-2-8(14)11(16)9(15)3-6/h2-5H,1H3
InChIKeyNJNKEQIPVFALJR-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 3-chloro-5-fluoropyridine-2-carboxylate
CID 46311235
methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 130096508
methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate
CID 117275720
methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636661
methyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate
CID 134636546
methyl 3-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134636767
methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate
CID 133090813
methyl 2,3,4-trichloro-6-fluorobenzoate
CID 166638354
4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid
CID 141464391
methyl 2-(3-chloro-4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306502
methyl 4-bromo-3,5-difluoropyridine-2-carboxylate
CID 141301095

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate (CID 134636624) is methyl 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate is COC(=O)c1ncc(-c2cc(Cl)c(Cl)c(Cl)c2)cc1F.
What is the InChIKey of methyl 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate?
The InChIKey is NJNKEQIPVFALJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3FNO2/c1-20-13(19)12-10(17)4-7(5-18-12)6-2-8(14)11(16)9(15)3-6/h2-5H,1H3.
What are the key properties of methyl 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate?
methyl 3-fluoro-5-(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 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 134636624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).