methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate

C19H13ClFNO2 — CID 44722916

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

About methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate

methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate (PubChem CID 44722916) has the molecular formula C19H13ClFNO2 and a molecular weight of 341.77 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
PubChem CID44722916
Molecular FormulaC19H13ClFNO2
Molecular Weight341.77 g/mol
Exact Mass341.06
IUPAC Namemethyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H13ClFNO2/c1-24-19(23)14-10-17(12-2-6-15(20)7-3-12)22-18(11-14)13-4-8-16(21)9-5-13/h2-11H,1H3
InChIKeyFJKVODVXKSNHMD-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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Related Compounds

ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 144796191
methyl 2,6-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634052
methyl 2-chloro-6-(4-methoxyphenyl)pyridine-4-carboxylate
CID 91873021
methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634051
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
methyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 133089873
methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate
CID 67469548
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane
CID 144796390
methyl 4-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzoate
CID 176827252
methyl 2-chloro-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 59487345
methyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate
CID 144796299

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate (CID 44722916) is methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate is COC(=O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate?
The InChIKey is FJKVODVXKSNHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO2/c1-24-19(23)14-10-17(12-2-6-15(20)7-3-12)22-18(11-14)13-4-8-16(21)9-5-13/h2-11H,1H3.
What are the key properties of methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate?
methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-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 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate is sourced from PubChem (CID 44722916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).