Chemical ID: 6689371

COc1ccnc(c1OC)CCl
Chemical ID:
6689371
Name [?]:
2-(chloromethyl)-3,4-dimethoxy-pyridine
SMILES [?]:
COc1ccnc(c1OC)CCl
InChi [?]:
InChI=1/C8H10ClNO2/c1-11-7-3-4-10-6(5-9)8(7)12-2/h3-4H,5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,4,5,11,7,3,8,12,6,2,9/rA:12nCOCCCNCCOCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10ClNO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.86176
Area:337.801
Solvation:-3.58325
Coulombic:-20.2396
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:187.623
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.88
LogP (Chemaxon):0.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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