methyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate

C13H9F2NO2 — CID 134638044

IUPACmethyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(F)c2F)ccn1
InChIInChI=1S/C13H9F2NO2/c1-18-13(17)11-7-8(5-6-16-11)9-3-2-4-10(14)12(9)15/h2-7H,1H3
InChIKeyICXNDRMQVQGZOC-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.81
Rot. Bonds2

About methyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate

methyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate (PubChem CID 134638044) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is methyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate
PubChem CID134638044
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Namemethyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(F)c2F)ccn1
InChIInChI=1S/C13H9F2NO2/c1-18-13(17)11-7-8(5-6-16-11)9-3-2-4-10(14)12(9)15/h2-7H,1H3
InChIKeyICXNDRMQVQGZOC-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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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate (CID 134638044) is methyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate is COC(=O)c1cc(-c2cccc(F)c2F)ccn1.
What is the InChIKey of methyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate?
The InChIKey is ICXNDRMQVQGZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c1-18-13(17)11-7-8(5-6-16-11)9-3-2-4-10(14)12(9)15/h2-7H,1H3.
What are the key properties of methyl 4-(2,3-difluorophenyl)pyridine-2-carboxylate?
methyl 4-(2,3-difluorophenyl)pyridine-2-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 4-(2,3-difluorophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 134638044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).