MBP146-78

CAT: 0862-GW9082-10mgSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0862-GW9082-10mgSize:10 mg

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

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CAS Number

188343-77-3

Storage Conditions

+4°C

Hazardous Class

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Chemical Information

4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl)pyridine

MBP146-78 has been reported in Diaporthe with data available.

CAS Number	188343-77-3
PubChem CID	500899
IUPAC Name	4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine
Molecular Formula	C21H22FN3
Molecular Weight	335.4
XLogP	3.6
Topological Polar Surface Area	31.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	409

SMILES

CN1CCC(CC1)C2=CC(=C(N2)C3=CC=C(C=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C21H22FN3/c1-25-12-8-16(9-13-25)20-14-19(15-6-10-23-11-7-15)21(24-20)17-2-4-18(22)5-3-17/h2-7,10-11,14,16,24H,8-9,12-13H2,1H3

InChIKey

RBWNFHXBUDPAIO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 188343-77-3

CID: 500899

Formula: C21H22FN3

MW: 335.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	335.4
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	335.17977588
Monoisotopic Mass	335.17977588
Topological Polar Surface Area	31.9 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	409
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