4-[[2-(5-Bromo-2-fluorophenyl)pteridin-4-yl]amino]nicotinic Acid Methyl Ester

HCID 57742379
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Basic information

Standard SMILES
COC(=O)c1cnccc1Nc1nc(-c2cc(Br)ccc2F)nc2nccnc12
InChIKey
YXOCOQZPBRWDDR-UHFFFAOYSA-N
Molecular formula
C19H12BrFN6O2
Average molar mass
455.2 g/mol
Monoisotopic mass
454.01891

Names & identifiers

Preferred name
4-[[2-(5-Bromo-2-fluorophenyl)pteridin-4-yl]amino]nicotinic Acid Methyl Ester
IUPAC
methyl 4-[[2-(5-bromo-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxylate

Names & synonyms

SCHEMBL2126113YXOCOQZPBRWDDR-UHFFFAOYSA-NSR-00000005748SR-00000005748-14-[[2-(5-Bromo-2-fluorophenyl)pteridin-4-yl]amino]nicotinic Acid Methyl Ester

Database identifiers

PubChem CID
57742379

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
103 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
29

Related reactions

2 records
New reaction record

Linked notes

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