Basic information
- Standard SMILES
O=C(O)c1cncc(Nc2ncc(-c3ccc(OC(F)F)cc3)cn2)c1- InChIKey
JEIWVBRIGGVATN-UHFFFAOYSA-N- Molecular formula
- C17H12F2N4O3
- Average molar mass
- 358.3 g/mol
Names & identifiers
- Preferred name
- 5-(5-(4-(Difluoromethoxy)phenyl)pyrimidin-2-ylamino)nicotinic acid
- IUPAC
- 5-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxylic acid
Names & synonyms
5-(5-(4-(difluoromethoxy)phenyl)pyrimidin-2-ylamino)nicotinic acidSCHEMBL2327670
Database identifiers
- PubChem CID
- 58171984
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 455
Related reactions
3 records
Compound notes
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