methyl 4-(4-fluorophenyl)pyridine-3-carboxylate

C13H10FNO2 — CID 11806499

IUPACmethyl 4-(4-fluorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1-c1ccc(F)cc1
InChIInChI=1S/C13H10FNO2/c1-17-13(16)12-8-15-7-6-11(12)9-2-4-10(14)5-3-9/h2-8H,1H3
InChIKeyISODYGZNWHNLGX-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.67
Rot. Bonds2

About methyl 4-(4-fluorophenyl)pyridine-3-carboxylate

methyl 4-(4-fluorophenyl)pyridine-3-carboxylate (PubChem CID 11806499) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)pyridine-3-carboxylate
PubChem CID11806499
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Namemethyl 4-(4-fluorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1-c1ccc(F)cc1
InChIInChI=1S/C13H10FNO2/c1-17-13(16)12-8-15-7-6-11(12)9-2-4-10(14)5-3-9/h2-8H,1H3
InChIKeyISODYGZNWHNLGX-UHFFFAOYSA-N
XLogP2.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluorophenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)pyridine-3-carboxylate (CID 11806499) is methyl 4-(4-fluorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)pyridine-3-carboxylate is COC(=O)c1cnccc1-c1ccc(F)cc1.
What is the InChIKey of methyl 4-(4-fluorophenyl)pyridine-3-carboxylate?
The InChIKey is ISODYGZNWHNLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c1-17-13(16)12-8-15-7-6-11(12)9-2-4-10(14)5-3-9/h2-8H,1H3.
What are the key properties of methyl 4-(4-fluorophenyl)pyridine-3-carboxylate?
methyl 4-(4-fluorophenyl)pyridine-3-carboxylate has a molecular weight of 231.23 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 11806499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).