VU0360172

CAT: 0607-BA5591-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5591-25Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1310012-12-4

Form

A solid

Molecular Formula

C18H15FN2O

Molecular Weight

294.32

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

VU0360172

CAS Number	1310012-12-4
PubChem CID	53318624
IUPAC Name	N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide
Molecular Formula	C18H15FN2O
Molecular Weight	294.3
XLogP	3.2
Topological Polar Surface Area	42
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	462

SMILES

C1CC(C1)NC(=O)C2=CN=C(C=C2)C#CC3=CC(=CC=C3)F

InChI

InChI=1S/C18H15FN2O/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)

InChIKey

NEMHWVUKNWAKTM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1310012-12-4

CID: 53318624

Formula: C18H15FN2O

MW: 294.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.3
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	294.11684127
Monoisotopic Mass	294.11684127
Topological Polar Surface Area	42 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	462
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS3616518-01	VU0360172
HY-107504-01	VU0360172 (hydrochloride)