2-Fluoro-5-(5-isopropyl-tetrazol-1-yl)-3-(5-methyl-pyridin-2-yl)-benzoic acid methyl ester

HCID 57749813
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Basic information

Standard SMILES
COC(=O)c1cc(-n2nnnc2C(C)C)cc(-c2ccc(C)cn2)c1F
InChIKey
KFYKZEZXDVLLPK-UHFFFAOYSA-N
Molecular formula
C18H18FN5O2
Average molar mass
355.4 g/mol

Names & identifiers

Preferred name
2-Fluoro-5-(5-isopropyl-tetrazol-1-yl)-3-(5-methyl-pyridin-2-yl)-benzoic acid methyl ester
IUPAC
methyl 2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate

Names & synonyms

SCHEMBL357088KFYKZEZXDVLLPK-UHFFFAOYSA-N2-fluoro-5-(5-isopropyl-tetrazol-1-yl)-3-(5-methyl-pyridin-2-yl)-benzoic acid methyl ester

Database identifiers

PubChem CID
57749813

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
82.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

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