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

HCID 57742374
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Basic information

Standard SMILES
O=C(O)c1cnccc1Nc1nc(-c2cc(Br)ccc2F)nc2nccnc12
InChIKey
PNGLHZATYLECLF-UHFFFAOYSA-N
Molecular formula
C18H10BrFN6O2
Average molar mass
441.2 g/mol

Names & identifiers

Preferred name
4-[[2-(5-Bromo-2-fluorophenyl)pteridin-4-yl]amino]nicotinic Acid
IUPAC
4-[[2-(5-bromo-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid

Names & synonyms

SCHEMBL2127316PNGLHZATYLECLF-UHFFFAOYSA-N4-[[2-(5-Bromo-2-fluorophenyl)pteridin-4-yl]amino]nicotinic Acid

Database identifiers

PubChem CID
57742374

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
114 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
4
Heavy atoms
28

Related reactions

2 records
New reaction record

Compound notes

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