methyl 6-cyano-5-fluoro-2-(2-fluorophenyl)pyridine-3-carboxylate

C14H8F2N2O2 — CID 67460485

IUPACmethyl 6-cyano-5-fluoro-2-(2-fluorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(F)c(C#N)nc1-c1ccccc1F
InChIInChI=1S/C14H8F2N2O2/c1-20-14(19)9-6-11(16)12(7-17)18-13(9)8-4-2-3-5-10(8)15/h2-6H,1H3
InChIKeyNXNFMJCNZULNLP-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.69
Rot. Bonds2

About methyl 6-cyano-5-fluoro-2-(2-fluorophenyl)pyridine-3-carboxylate

methyl 6-cyano-5-fluoro-2-(2-fluorophenyl)pyridine-3-carboxylate (PubChem CID 67460485) has the molecular formula C14H8F2N2O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is methyl 6-cyano-5-fluoro-2-(2-fluorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyano-5-fluoro-2-(2-fluorophenyl)pyridine-3-carboxylate
PubChem CID67460485
Molecular FormulaC14H8F2N2O2
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Namemethyl 6-cyano-5-fluoro-2-(2-fluorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(F)c(C#N)nc1-c1ccccc1F
InChIInChI=1S/C14H8F2N2O2/c1-20-14(19)9-6-11(16)12(7-17)18-13(9)8-4-2-3-5-10(8)15/h2-6H,1H3
InChIKeyNXNFMJCNZULNLP-UHFFFAOYSA-N
XLogP2.69
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-cyano-5-fluoro-2-(3-fluorophenyl)pyridine-3-carboxylate
CID 66993018
methyl 5-chloro-6-cyano-2-phenylpyridine-3-carboxylate
CID 129097942
methyl 2-(2,3-difluorophenyl)-4,5-difluorobenzoate
CID 134635154
methyl 2-chloro-4-(2-fluorophenyl)benzoate
CID 75488279
methyl 2-amino-5-(2-fluorophenyl)benzoate
CID 82572889
methyl 5-chloro-2-[2,6-di(propan-2-yl)benzoyl]-6-(2-fluorophenyl)pyridine-3-carboxylate
CID 146235027
methyl 2-(2-cyano-3-fluorophenoxy)-4-fluorobenzoate
CID 67227369
methyl 4-cyano-2,5-difluorobenzoate;methyl 2,4,5-trifluorobenzoate
CID 66717867
methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate
CID 134635148
methyl 3-cyano-4-fluoronaphthalene-1-carboxylate
CID 11806440
methyl 2-(3-fluoro-4-methylphenyl)benzoate
CID 15129923
methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate
CID 134635149

Frequently Asked Questions

What is the IUPAC name of methyl 6-cyano-5-fluoro-2-(2-fluorophenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-cyano-5-fluoro-2-(2-fluorophenyl)pyridine-3-carboxylate (CID 67460485) is methyl 6-cyano-5-fluoro-2-(2-fluorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-cyano-5-fluoro-2-(2-fluorophenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-cyano-5-fluoro-2-(2-fluorophenyl)pyridine-3-carboxylate is COC(=O)c1cc(F)c(C#N)nc1-c1ccccc1F.
What is the InChIKey of methyl 6-cyano-5-fluoro-2-(2-fluorophenyl)pyridine-3-carboxylate?
The InChIKey is NXNFMJCNZULNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2/c1-20-14(19)9-6-11(16)12(7-17)18-13(9)8-4-2-3-5-10(8)15/h2-6H,1H3.
What are the key properties of methyl 6-cyano-5-fluoro-2-(2-fluorophenyl)pyridine-3-carboxylate?
methyl 6-cyano-5-fluoro-2-(2-fluorophenyl)pyridine-3-carboxylate has a molecular weight of 274.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyano-5-fluoro-2-(2-fluorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 67460485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).