methyl 2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate

C19H15FN2O2 — CID 58539049

IUPACmethyl 2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2cncc(C)c2)cnc1-c1ccccc1F
InChIInChI=1S/C19H15FN2O2/c1-12-7-13(10-21-9-12)14-8-16(19(23)24-2)18(22-11-14)15-5-3-4-6-17(15)20/h3-11H,1-2H3
InChIKeyBCUWQVHBHDBBFW-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.04
Rot. Bonds3

About methyl 2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate

methyl 2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate (PubChem CID 58539049) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate
PubChem CID58539049
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Namemethyl 2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2cncc(C)c2)cnc1-c1ccccc1F
InChIInChI=1S/C19H15FN2O2/c1-12-7-13(10-21-9-12)14-8-16(19(23)24-2)18(22-11-14)15-5-3-4-6-17(15)20/h3-11H,1-2H3
InChIKeyBCUWQVHBHDBBFW-UHFFFAOYSA-N
XLogP4.04
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate (CID 58539049) is methyl 2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate is COC(=O)c1cc(-c2cncc(C)c2)cnc1-c1ccccc1F.
What is the InChIKey of methyl 2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate?
The InChIKey is BCUWQVHBHDBBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-12-7-13(10-21-9-12)14-8-16(19(23)24-2)18(22-11-14)15-5-3-4-6-17(15)20/h3-11H,1-2H3.
What are the key properties of methyl 2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate?
methyl 2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate has a molecular weight of 322.34 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylate is sourced from PubChem (CID 58539049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).