Chemical ID: 6048280

c1cc(cnc1)CC#N
Chemical ID:
6048280
Name [?]:
2-(3-pyridyl)acetonitrile
SMILES [?]:
c1cc(cnc1)CC#N
InChi [?]:
InChI=1/C7H6N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3H2
InChi Info:
AuxInfo=1/0/N:1,2,7,8,6,4,3,9,5/rA:9nCCCCNCCCN/rB:s1;d2;s3;d4;d1s5;s3;s7;t8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6N2
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:4.97342
Area:283.89
Solvation:-2.12384
Coulombic:-6.48173
Bond Count [?]
All:9
Single:5
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:118.136
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.31
LogP (Chemaxon):0.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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