Products for Research Use Only
RegisterLogin

VU 0360172

CAT: 0572-TRC-V787600-100MGSize: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-V787600-100MGSize:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1309976-62-2
Synonyms
VU 0360172
Hazard Statement
No Data Available
Smiles
Cl.Fc1cccc(c1)C#Cc2ccc(cn2)C(=O)NC3CCC3
Molecular Formula
C18 H15 F N2 O . Cl H
Molecular Weight
330.784
InChI
InChI=1S/C18H15FN2O.ClH/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17;/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22);1H
Additionnal Information
IUPAC name: N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

VU 0360172 hydrochloride
CAS Number1309976-62-2
PubChem CID53384852
IUPAC NameN-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide;hydrochloride
Molecular FormulaC18H16ClFN2O
Molecular Weight330.8
Topological Polar Surface Area42
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity462
SMILES
C1CC(C1)NC(=O)C2=CN=C(C=C2)C#CC3=CC(=CC=C3)F.Cl
InChI
InChI=1S/C18H15FN2O.ClH/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17;/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22);1H
InChIKey
NBGAPTWZQXSEAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VU 0360172 hydrochloride
CAS: 1309976-62-2
CID: 53384852
Formula: C18H16ClFN2O
MW: 330.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass330.0935190
Monoisotopic Mass330.0935190
Topological Polar Surface Area42 Ų
Heavy Atom Count23
Formal Charge0
Complexity462
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-V787550-500MGVU 0357121
TRC-V787590-10MGVU 0422288
TRC-V787590-5MGVU 0422288
TRC-V787560-100MGVU 0365114
TRC-V787590-50MGVU 0422288
TRC-V797690-250MGVU 0463271
TRC-V787500-500MGVU 0357017 Hydrochloride
TRC-V787578-100MGVU 590 Dihydrochloride
TRC-V787595-250MGVU 0155041 Sodium Salt

Alternative Products

CatalogName
sc-475934VU 0360172
B5555-5VU 0360172 hydrochloride
468770-01VU 0360172-d6

Popular Products