methyl 5-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate

C18H14FN3O2 — CID 59187371

IUPACmethyl 5-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2cc(C)cnc2F)cnc1-c1ccccn1
InChIInChI=1S/C18H14FN3O2/c1-11-7-13(17(19)22-9-11)12-8-14(18(23)24-2)16(21-10-12)15-5-3-4-6-20-15/h3-10H,1-2H3
InChIKeyVAZXXADJUDPMSY-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.44
Rot. Bonds3

About methyl 5-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate

methyl 5-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate (PubChem CID 59187371) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is methyl 5-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate
PubChem CID59187371
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Namemethyl 5-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2cc(C)cnc2F)cnc1-c1ccccn1
InChIInChI=1S/C18H14FN3O2/c1-11-7-13(17(19)22-9-11)12-8-14(18(23)24-2)16(21-10-12)15-5-3-4-6-20-15/h3-10H,1-2H3
InChIKeyVAZXXADJUDPMSY-UHFFFAOYSA-N
XLogP3.44
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate?
The IUPAC name of methyl 5-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate (CID 59187371) is methyl 5-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate?
The canonical SMILES for methyl 5-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate is COC(=O)c1cc(-c2cc(C)cnc2F)cnc1-c1ccccn1.
What is the InChIKey of methyl 5-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate?
The InChIKey is VAZXXADJUDPMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-11-7-13(17(19)22-9-11)12-8-14(18(23)24-2)16(21-10-12)15-5-3-4-6-20-15/h3-10H,1-2H3.
What are the key properties of methyl 5-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate?
methyl 5-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate has a molecular weight of 323.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 59187371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).