2-Chloro-N-phenylisonicotinamide

CAT: 0926-FDA19483Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FDA19483Size:10 g

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CAS Number

80194-83-8

MDL Number

MFCD09817650

Smiles

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

Molecular Formula

C12H9ClN2O

Molecular Weight

232.67 g/mol

Controlled

Chemical Information

2-Chloro-N-phenylpyridine-4-carboxamide

CAS Number	80194-83-8
PubChem CID	15075715
IUPAC Name	2-chloro-N-phenylpyridine-4-carboxamide
Molecular Formula	C12H9ClN2O
Molecular Weight	232.66
XLogP	2.4
Topological Polar Surface Area	42
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	241

SMILES

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

InChI

InChI=1S/C12H9ClN2O/c13-11-8-9(6-7-14-11)12(16)15-10-4-2-1-3-5-10/h1-8H,(H,15,16)

InChIKey

LTAXNWGTCKPZGT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80194-83-8

CID: 15075715

Formula: C12H9ClN2O

MW: 232.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.66
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	232.0403406
Monoisotopic Mass	232.0403406
Topological Polar Surface Area	42 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	241
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
HAA40366-01	2-Chloro-N, N-diisopropylacetamide
FC127662-01	2-Chloro-N, N-diphenylacetamide
FC127329-01	2-Chloro-N, N-diphenylpropanamide
EWB15113-01	2-Chloro-N-[ (2-chloro-6-fluorophenyl) methyl]-N-methylpropanamide
CCA94323-01	2-Chloro-N-propylnicotinamide
AFB59927-01	2-Chloro-N-cyclopropylpropanamide
FC113987-01	2-Chloro-N-phenylpropanamide
AAA93232	2-Chloro-N-methylaniline
AAA58765-01	2-Chloro-N-phenylacetamide
PSA93133	2-Chloro-N-isopropylisonicotinamide

Catalog	Name
OR904044-01	N-Phenylisonicotinamide
PC102215-01	2-Chloro-N- (2-chloro-6-fluorobenzyl) -N-methylacetamide
sc-341864A	2-Chloro-N- (2-chloro-acetyl) -benzamide
417133-01	2-Chloro-N, N-diethylacetamide
sc-342566	2-chloro-N, N-dipropylacetamide
sc-274720	2-chloro-N, N-dimethylpropanamide
sc-342565	2-chloro-N, N-diisopropylpropanamide
OR1001923-01	2-Chloro-n, n-diphenylacetamide
OR936656-01	2-Chloro-n, n-diethylaniline
OR52317-01	2-Chloro-N, N-diisobutylacetamide