6-Amino-4-[(3-chloro-5-trifluoromethyl-pyridin-2-yl-methyl)-amino]-2-furan-2-yl-nicotinonitrile

HCID 18507238
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Basic information

Standard SMILES
N#Cc1c(NCc2ncc(C(F)(F)F)cc2Cl)cc(N)nc1-c1ccco1
InChIKey
MBWAJMIJCRIZER-UHFFFAOYSA-N
Molecular formula
C17H11ClF3N5O
Average molar mass
393.7 g/mol
Monoisotopic mass
393.0604222

Names & identifiers

Preferred name
6-Amino-4-[(3-chloro-5-trifluoromethyl-pyridin-2-yl-methyl)-amino]-2-furan-2-yl-nicotinonitrile
IUPAC
6-amino-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylamino]-2-(furan-2-yl)pyridine-3-carbonitrile

Names & synonyms

6-Amino-4-[(3-chloro-5-trifluoromethyl-pyridin-2-yl-methyl)-amino]-2-furan-2-yl-nicotinonitrileSCHEMBL6446153

Database identifiers

PubChem CID
18507238

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
101 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
4
Heavy atoms
27

Related reactions

2 records
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Linked notes

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