Chemical ID: 6048998

COc1c(cc(cn1)Br)C=O
Chemical ID:
6048998
Name [?]:
5-bromo-2-methoxy-pyridine-3-carbaldehyde
SMILES [?]:
COc1c(cc(cn1)Br)C=O
InChi [?]:
InChI=1/C7H6BrNO2/c1-11-7-5(4-10)2-6(8)3-9-7/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,10,4,6,3,9,8,11,2/rA:11nCOCCCCCNBrCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s4;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6BrNO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.80859
Area:321.737
Solvation:-2.23483
Coulombic:-20.9411
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:216.032
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.91
LogP (Chemaxon):1.65

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Descriptor Annotations

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