Chemical ID: 6847518

CCOC(=O)c1cccnc1Br
Chemical ID:
6847518
Name [?]:
ethyl 2-bromopyridine-3-carboxylate
SMILES [?]:
CCOC(=O)c1cccnc1Br
InChi [?]:
InChI=1/C8H8BrNO2/c1-2-12-8(11)6-4-3-5-10-7(6)9/h3-5H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,7,9,6,11,4,12,10,5,3/rA:12nCCOCOCCCCNCBr/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8BrNO2
All Atoms:20
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.8236
Area:343.34
Solvation:-1.75991
Coulombic:-24.9693
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:230.059
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.02
LogP (Chemaxon):1.81

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue