Chemical ID: 7254972

c1ccnc(c1)C(=O)Nc2ccc(c(c2)Cl)C#N
Chemical ID:
7254972
Name [?]:
N-(3-chloro-4-cyano-phenyl)pyridine-2-carboxamide
SMILES [?]:
c1ccnc(c1)C(=O)Nc2ccc(c(c2)Cl)C#N
InChi [?]:
InChI=1/C13H8ClN3O/c14-11-7-10(5-4-9(11)8-15)17-13(18)12-3-1-2-6-16-12/h1-7H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,3,15,17,13,10,14,5,7,16,18,4,9,8/rA:18nCCCNCCCONCCCCCCClCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s13;t17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8ClN3O
All Atoms:26
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.01311
Area:445.779
Solvation:-2.13135
Coulombic:-31.5669
Bond Count [?]
All:19
Single:11
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:257.675
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.17
LogP (Chemaxon):2.52

Name Annotations

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Descriptor Annotations

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