Chemical ID: 5567070

COC(=O)c1c[n+](ccc1[N+](=O)[O-])[O-]
Chemical ID:
5567070
Name [?]:
methyl 4-nitro-1-oxido-pyridine-3-carboxylate
SMILES [?]:
COC(=O)c1c[n+](ccc1[N+](=O)[O-])[O-]
InChi [?]:
InChI=1/C7H6N2O5/c1-14-7(10)5-4-8(11)3-2-6(5)9(12)13/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,6,5,10,3,7,11,4,14,12,13,2/E:(12,13)/CRV:8.5,9.5/rA:14nCOCOCCN+CCCN+OO-O-/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;d11;s11;s7;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6N2O5
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-9.68503
Area:350.397
Solvation:-18.445
Coulombic:-31.8402
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:198.133
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:-0.05
LogP (Chemaxon):-1.31

Name Annotations

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Descriptor Annotations

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