methyl 4-chloro-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate

C19H13ClFNO2 — CID 66801409

IUPACmethyl 4-chloro-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Cl)cc(-c2ccc(-c3ccc(F)cc3)cc2)n1
InChIInChI=1S/C19H13ClFNO2/c1-24-19(23)18-11-15(20)10-17(22-18)14-4-2-12(3-5-14)13-6-8-16(21)9-7-13/h2-11H,1H3
InChIKeyWUQFSGFFZWZXST-UHFFFAOYSA-N
MW341.77 g/mol
LogP4.99
Rot. Bonds3

About methyl 4-chloro-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate

methyl 4-chloro-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate (PubChem CID 66801409) has the molecular formula C19H13ClFNO2 and a molecular weight of 341.77 g/mol. Its IUPAC name is methyl 4-chloro-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate
PubChem CID66801409
Molecular FormulaC19H13ClFNO2
Molecular Weight341.77 g/mol
Exact Mass341.06
IUPAC Namemethyl 4-chloro-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(Cl)cc(-c2ccc(-c3ccc(F)cc3)cc2)n1
InChIInChI=1S/C19H13ClFNO2/c1-24-19(23)18-11-15(20)10-17(22-18)14-4-2-12(3-5-14)13-6-8-16(21)9-7-13/h2-11H,1H3
InChIKeyWUQFSGFFZWZXST-UHFFFAOYSA-N
XLogP4.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-chloro-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate (CID 66801409) is methyl 4-chloro-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-chloro-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate is COC(=O)c1cc(Cl)cc(-c2ccc(-c3ccc(F)cc3)cc2)n1.
What is the InChIKey of methyl 4-chloro-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate?
The InChIKey is WUQFSGFFZWZXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO2/c1-24-19(23)18-11-15(20)10-17(22-18)14-4-2-12(3-5-14)13-6-8-16(21)9-7-13/h2-11H,1H3.
What are the key properties of methyl 4-chloro-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate?
methyl 4-chloro-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate has a molecular weight of 341.77 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-6-[4-(4-fluorophenyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 66801409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).