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

C17H14FN3O3 — CID 86798893

IUPAC(3-fluoro-4-methoxyphenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
SMILESCOc1ccc(COC(=O)c2ccnc(-n3ccnc3)c2)cc1F
InChIInChI=1S/C17H14FN3O3/c1-23-15-3-2-12(8-14(15)18)10-24-17(22)13-4-5-20-16(9-13)21-7-6-19-11-21/h2-9,11H,10H2,1H3
InChIKeyHYJTYBQNXIJKPR-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.77
Rot. Bonds5

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

(3-fluoro-4-methoxyphenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate (PubChem CID 86798893) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
PubChem CID86798893
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
SMILESCOc1ccc(COC(=O)c2ccnc(-n3ccnc3)c2)cc1F
InChIInChI=1S/C17H14FN3O3/c1-23-15-3-2-12(8-14(15)18)10-24-17(22)13-4-5-20-16(9-13)21-7-6-19-11-21/h2-9,11H,10H2,1H3
InChIKeyHYJTYBQNXIJKPR-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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Related Compounds

(4-fluoro-3-methoxyphenyl)methyl 6-imidazol-1-ylpyridine-2-carboxylate
CID 75477266
(2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
CID 75523078
(3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate
CID 2627760
(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate
CID 2629800
2-bromoprop-2-enyl 2-imidazol-1-ylpyridine-4-carboxylate
CID 99824160
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
(3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate
CID 8553467
(3-fluoro-4-methoxyphenyl)methyl 2,6-dimethoxybenzoate
CID 2629779
2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone
CID 82116358
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 31533384
(3-fluoro-4-methoxyphenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7752969
(3-fluoro-4-methoxyphenyl)methyl 3-methylsulfonylbenzoate
CID 18082239

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate (CID 86798893) is (3-fluoro-4-methoxyphenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate is COc1ccc(COC(=O)c2ccnc(-n3ccnc3)c2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate?
The InChIKey is HYJTYBQNXIJKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-23-15-3-2-12(8-14(15)18)10-24-17(22)13-4-5-20-16(9-13)21-7-6-19-11-21/h2-9,11H,10H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate?
(3-fluoro-4-methoxyphenyl)methyl 2-imidazol-1-ylpyridine-4-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 (3-fluoro-4-methoxyphenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate is sourced from PubChem (CID 86798893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).