methyl 5-chloro-4-(3-fluorophenyl)pyridine-2-carboxylate

C13H9ClFNO2 — CID 58443263

IUPACmethyl 5-chloro-4-(3-fluorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(F)c2)c(Cl)cn1
InChIInChI=1S/C13H9ClFNO2/c1-18-13(17)12-6-10(11(14)7-16-12)8-3-2-4-9(15)5-8/h2-7H,1H3
InChIKeyUUCFENROBSDETF-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.33
Rot. Bonds2

About methyl 5-chloro-4-(3-fluorophenyl)pyridine-2-carboxylate

methyl 5-chloro-4-(3-fluorophenyl)pyridine-2-carboxylate (PubChem CID 58443263) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is methyl 5-chloro-4-(3-fluorophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-4-(3-fluorophenyl)pyridine-2-carboxylate
PubChem CID58443263
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Namemethyl 5-chloro-4-(3-fluorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(F)c2)c(Cl)cn1
InChIInChI=1S/C13H9ClFNO2/c1-18-13(17)12-6-10(11(14)7-16-12)8-3-2-4-9(15)5-8/h2-7H,1H3
InChIKeyUUCFENROBSDETF-UHFFFAOYSA-N
XLogP3.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-4-(3-fluorophenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-chloro-4-(3-fluorophenyl)pyridine-2-carboxylate (CID 58443263) is methyl 5-chloro-4-(3-fluorophenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-4-(3-fluorophenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-chloro-4-(3-fluorophenyl)pyridine-2-carboxylate is COC(=O)c1cc(-c2cccc(F)c2)c(Cl)cn1.
What is the InChIKey of methyl 5-chloro-4-(3-fluorophenyl)pyridine-2-carboxylate?
The InChIKey is UUCFENROBSDETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c1-18-13(17)12-6-10(11(14)7-16-12)8-3-2-4-9(15)5-8/h2-7H,1H3.
What are the key properties of methyl 5-chloro-4-(3-fluorophenyl)pyridine-2-carboxylate?
methyl 5-chloro-4-(3-fluorophenyl)pyridine-2-carboxylate has a molecular weight of 265.67 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-4-(3-fluorophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 58443263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).