methyl 6-(4-fluorophenyl)-2-methylpyridine-3-carboxylate

C14H12FNO2 — CID 822971

IUPACmethyl 6-(4-fluorophenyl)-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C14H12FNO2/c1-9-12(14(17)18-2)7-8-13(16-9)10-3-5-11(15)6-4-10/h3-8H,1-2H3
InChIKeyQVFUAYVAEHAYQF-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.98
Rot. Bonds2

About methyl 6-(4-fluorophenyl)-2-methylpyridine-3-carboxylate

methyl 6-(4-fluorophenyl)-2-methylpyridine-3-carboxylate (PubChem CID 822971) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is methyl 6-(4-fluorophenyl)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-fluorophenyl)-2-methylpyridine-3-carboxylate
PubChem CID822971
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Namemethyl 6-(4-fluorophenyl)-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C14H12FNO2/c1-9-12(14(17)18-2)7-8-13(16-9)10-3-5-11(15)6-4-10/h3-8H,1-2H3
InChIKeyQVFUAYVAEHAYQF-UHFFFAOYSA-N
XLogP2.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-fluorophenyl)-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-(4-fluorophenyl)-2-methylpyridine-3-carboxylate (CID 822971) is methyl 6-(4-fluorophenyl)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-fluorophenyl)-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-(4-fluorophenyl)-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(-c2ccc(F)cc2)nc1C.
What is the InChIKey of methyl 6-(4-fluorophenyl)-2-methylpyridine-3-carboxylate?
The InChIKey is QVFUAYVAEHAYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-9-12(14(17)18-2)7-8-13(16-9)10-3-5-11(15)6-4-10/h3-8H,1-2H3.
What are the key properties of methyl 6-(4-fluorophenyl)-2-methylpyridine-3-carboxylate?
methyl 6-(4-fluorophenyl)-2-methylpyridine-3-carboxylate has a molecular weight of 245.25 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-fluorophenyl)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 822971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).