2,6-Dichloroisonicotinamide

CAT: 0127-OR27131Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR27131Size:250 mg

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CAS Number

89281-13-0

Synonyms

2,6-Dichloropyridine-4-carboxamide, 4-Carbamoyl-2,6-dichloropyridine

MDL Number

MFCD00052640

Purity

95%

Smiles

NC(=O)c1cc(Cl)nc(Cl)c1

Chemical Information

2,6-Dichloroisonicotinamide

CAS Number	89281-13-0
PubChem CID	2781802
IUPAC Name	2,6-dichloropyridine-4-carboxamide
Molecular Formula	C6H4Cl2N2O
Molecular Weight	191.01
XLogP	0.9
Topological Polar Surface Area	56
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	155

SMILES

C1=C(C=C(N=C1Cl)Cl)C(=O)N

InChI

InChI=1S/C6H4Cl2N2O/c7-4-1-3(6(9)11)2-5(8)10-4/h1-2H,(H2,9,11)

InChIKey

CFYBBFGXTQBLQV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 89281-13-0

CID: 2781802

Formula: C6H4Cl2N2O

MW: 191.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.01
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	189.9700681
Monoisotopic Mass	189.9700681
Topological Polar Surface Area	56 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	155
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
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