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

C13H10FNO2 — CID 22743456

IUPACmethyl 5-(4-fluorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H10FNO2/c1-17-13(16)11-6-10(7-15-8-11)9-2-4-12(14)5-3-9/h2-8H,1H3
InChIKeyRKCFLSMVFNQWHR-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.67
Rot. Bonds2

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

methyl 5-(4-fluorophenyl)pyridine-3-carboxylate (PubChem CID 22743456) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is methyl 5-(4-fluorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-fluorophenyl)pyridine-3-carboxylate
PubChem CID22743456
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Namemethyl 5-(4-fluorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H10FNO2/c1-17-13(16)11-6-10(7-15-8-11)9-2-4-12(14)5-3-9/h2-8H,1H3
InChIKeyRKCFLSMVFNQWHR-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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Related Compounds

methyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate
CID 71304429
methyl 5-(6-fluoro-3-pyridinyl)pyridine-3-carboxylate
CID 169408037
methyl 5-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 71304424
5-(4-fluorophenyl)pyridine-3-carboxamide
CID 71303524
methyl 5-[4-[2-(4-formylphenyl)ethynyl]phenyl]pyridine-3-carboxylate
CID 87562558
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
methyl 3-bromo-5-(4-fluorophenyl)benzoate
CID 69068418
N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020814
5-(3-fluoro-4-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53224143
methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate
CID 117222190
5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide
CID 58833168
CID 170307924
CID 170307924

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-fluorophenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-(4-fluorophenyl)pyridine-3-carboxylate (CID 22743456) is methyl 5-(4-fluorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(4-fluorophenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(4-fluorophenyl)pyridine-3-carboxylate is COC(=O)c1cncc(-c2ccc(F)cc2)c1.
What is the InChIKey of methyl 5-(4-fluorophenyl)pyridine-3-carboxylate?
The InChIKey is RKCFLSMVFNQWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c1-17-13(16)11-6-10(7-15-8-11)9-2-4-12(14)5-3-9/h2-8H,1H3.
What are the key properties of methyl 5-(4-fluorophenyl)pyridine-3-carboxylate?
methyl 5-(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 5-(4-fluorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 22743456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).