(4-fluoro-3-methoxyphenyl)methyl 6-imidazol-1-ylpyridine-2-carboxylate

C17H14FN3O3 — CID 75477266

IUPAC(4-fluoro-3-methoxyphenyl)methyl 6-imidazol-1-ylpyridine-2-carboxylate
SMILESCOc1cc(COC(=O)c2cccc(-n3ccnc3)n2)ccc1F
InChIInChI=1S/C17H14FN3O3/c1-23-15-9-12(5-6-13(15)18)10-24-17(22)14-3-2-4-16(20-14)21-8-7-19-11-21/h2-9,11H,10H2,1H3
InChIKeyDBHMZACMSNKXKR-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.77
Rot. Bonds5

About (4-fluoro-3-methoxyphenyl)methyl 6-imidazol-1-ylpyridine-2-carboxylate

(4-fluoro-3-methoxyphenyl)methyl 6-imidazol-1-ylpyridine-2-carboxylate (PubChem CID 75477266) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)methyl 6-imidazol-1-ylpyridine-2-carboxylate.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)methyl 6-imidazol-1-ylpyridine-2-carboxylate
PubChem CID75477266
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name(4-fluoro-3-methoxyphenyl)methyl 6-imidazol-1-ylpyridine-2-carboxylate
SMILESCOc1cc(COC(=O)c2cccc(-n3ccnc3)n2)ccc1F
InChIInChI=1S/C17H14FN3O3/c1-23-15-9-12(5-6-13(15)18)10-24-17(22)14-3-2-4-16(20-14)21-8-7-19-11-21/h2-9,11H,10H2,1H3
InChIKeyDBHMZACMSNKXKR-UHFFFAOYSA-N
XLogP2.77
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)methyl 6-imidazol-1-ylpyridine-2-carboxylate?
The IUPAC name of (4-fluoro-3-methoxyphenyl)methyl 6-imidazol-1-ylpyridine-2-carboxylate (CID 75477266) is (4-fluoro-3-methoxyphenyl)methyl 6-imidazol-1-ylpyridine-2-carboxylate.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)methyl 6-imidazol-1-ylpyridine-2-carboxylate?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)methyl 6-imidazol-1-ylpyridine-2-carboxylate is COc1cc(COC(=O)c2cccc(-n3ccnc3)n2)ccc1F.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)methyl 6-imidazol-1-ylpyridine-2-carboxylate?
The InChIKey is DBHMZACMSNKXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-23-15-9-12(5-6-13(15)18)10-24-17(22)14-3-2-4-16(20-14)21-8-7-19-11-21/h2-9,11H,10H2,1H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)methyl 6-imidazol-1-ylpyridine-2-carboxylate?
(4-fluoro-3-methoxyphenyl)methyl 6-imidazol-1-ylpyridine-2-carboxylate has a molecular weight of 327.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)methyl 6-imidazol-1-ylpyridine-2-carboxylate is sourced from PubChem (CID 75477266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).