PF-01247324

CAT: 0607-BA6960-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6960-100Size:100 mg

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

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CAS Number

875051-72-2

Form

A solid

Molecular Formula

C13H10Cl3N3O

Molecular Weight

330.60

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

PF-01247324

CAS Number	875051-72-2
PubChem CID	11659955
IUPAC Name	6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide
Molecular Formula	C13H10Cl3N3O
Molecular Weight	330.6
XLogP	3.6
Topological Polar Surface Area	68
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	358

SMILES

CNC(=O)C1=NC(=C(C=C1)C2=C(C(=CC(=C2)Cl)Cl)Cl)N

InChI

InChI=1S/C13H10Cl3N3O/c1-18-13(20)10-3-2-7(12(17)19-10)8-4-6(14)5-9(15)11(8)16/h2-5H,1H3,(H2,17,19)(H,18,20)

InChIKey

HPIUHDCRVYDAEJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 875051-72-2

CID: 11659955

Formula: C13H10Cl3N3O

MW: 330.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	330.6
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	328.988945
Monoisotopic Mass	328.988945
Topological Polar Surface Area	68 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	358
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