Chemical ID: 4733420

COC(=O)c1ccc(nc1)Cl
Chemical ID:
4733420
Name [?]:
methyl 6-chloropyridine-3-carboxylate
SMILES [?]:
COC(=O)c1ccc(nc1)Cl
InChi [?]:
InChI=1/C7H6ClNO2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,10,5,8,3,11,9,4,2/rA:11nCOCOCCCCNCCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6ClNO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.50368
Area:330.474
Solvation:-1.75818
Coulombic:-25.3201
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:171.581
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.42
LogP (Chemaxon):1.17

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Descriptor Annotations

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