Chemical ID: 4557289

c1cc(oc(=O)c1)c2cccnc2
Chemical ID:
4557289
Name [?]:
6-(3-pyridyl)pyran-2-one
SMILES [?]:
c1cc(oc(=O)c1)c2cccnc2
InChi [?]:
InChI=1/C10H7NO2/c12-10-5-1-4-9(13-10)8-3-2-6-11-7-8/h1-7H
InChi Info:
AuxInfo=1/0/N:1,10,9,2,7,11,13,8,3,5,12,6,4/rA:13nCCCOCOCCCCCNC/rB:s1;d2;s3;s4;d5;d1s5;s3;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.68304
Area:334.657
Solvation:-2.6834
Coulombic:-23.1728
Bond Count [?]
All:14
Single:8
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:173.168
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.12
LogP (Chemaxon):0.86

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Descriptor Annotations

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