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Chemical ID: 4557289
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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