Chemical ID: 4162952

c1cnc(cc1Br)C(=O)O
Chemical ID:
4162952
Name [?]:
4-bromopyridine-2-carboxylic acid
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)
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:C6H4BrNO2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.7013
Area:301.415
Solvation:-1.83408
Coulombic:-33.118
Bond Count [?]
All:10
Single:6
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:202.005
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:-0.89
LogP (Chemaxon):0.55

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Descriptor Annotations

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