Chemical ID: 6502653

c1ccc(c(c1)NC(=O)c2ccccn2)Br
Chemical ID:
6502653
Name [?]:
N-(2-bromophenyl)pyridine-2-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccccn2)Br
InChi [?]:
InChI=1/C12H9BrN2O/c13-9-5-1-2-6-10(9)15-12(16)11-7-3-4-8-14-11/h1-8H,(H,15,16)
InChi Info:
AuxInfo=1/1/N:2,1,12,13,3,6,11,14,4,5,10,8,16,15,7,9/rA:16nCCCCCCNCOCCCCCNBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9BrN2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.49197
Area:400.267
Solvation:-1.51469
Coulombic:-29.4187
Bond Count [?]
All:17
Single:10
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:277.117
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.63
LogP (Chemaxon):2.33

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Descriptor Annotations

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