Chemical ID: 6835897

c1cnc(cc1Br)C(=O)[O-]
Chemical ID:
6835897
Name [?]:
4-bromopyridine-2-carboxylate
SMILES [?]:
c1cnc(cc1Br)C(=O)[O-]
InChi [?]:
InChI=1/C6H4BrNO2/c7-4-1-2-8-5(3-4)6(9)10/h1-3H,(H,9,10)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,8,7,3,9,10/E:(9,10)/rA:10nCCNCCCBrCOO-/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H3BrNO2-
All Atoms:13
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:-35.029
Area:299.437
Solvation:-42.5149
Coulombic:-7.4471
Bond Count [?]
All:10
Single:6
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:200.998
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.79
LogP (Chemaxon):0.55

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Experimental Annotations

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Descriptor Annotations

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