methyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate

C13H9F2NO2 — CID 71304429

IUPACmethyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C13H9F2NO2/c1-18-13(17)10-4-9(6-16-7-10)8-2-3-11(14)12(15)5-8/h2-7H,1H3
InChIKeyWJRAHTAHMVAJLJ-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.81
Rot. Bonds2

About methyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate

methyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate (PubChem CID 71304429) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is methyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate
PubChem CID71304429
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Namemethyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C13H9F2NO2/c1-18-13(17)10-4-9(6-16-7-10)8-2-3-11(14)12(15)5-8/h2-7H,1H3
InChIKeyWJRAHTAHMVAJLJ-UHFFFAOYSA-N
XLogP2.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(4-fluorophenyl)pyridine-3-carboxylate
CID 22743456
methyl 5-(6-fluoro-3-pyridinyl)pyridine-3-carboxylate
CID 169408037
5-(3-fluoro-4-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53224143
methyl 5-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 71304424
methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate
CID 70699864
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate
CID 117222190
methyl 5-[4-[2-(4-formylphenyl)ethynyl]phenyl]pyridine-3-carboxylate
CID 87562558
methyl 3-(4-fluoro-3-methylphenyl)benzoate
CID 75488193
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylic acid
CID 175730512
5-(3,4-difluorophenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 42845812

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate (CID 71304429) is methyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate is COC(=O)c1cncc(-c2ccc(F)c(F)c2)c1.
What is the InChIKey of methyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate?
The InChIKey is WJRAHTAHMVAJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c1-18-13(17)10-4-9(6-16-7-10)8-2-3-11(14)12(15)5-8/h2-7H,1H3.
What are the key properties of methyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate?
methyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate has a molecular weight of 249.22 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 71304429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).