Chemical ID: 6046962

COC(=O)c1cc(ccn1)Cl
Chemical ID:
6046962
Name [?]:
methyl 4-chloropyridine-2-carboxylate
SMILES [?]:
COC(=O)c1cc(ccn1)Cl
InChi [?]:
InChI=1/C7H6ClNO2/c1-11-7(10)6-4-5(8)2-3-9-6/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,6,7,5,3,11,10,4,2/rA:11nCOCOCCCCCNCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s7;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6ClNO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.29582
Area:332.138
Solvation:-2.00762
Coulombic:-25.5989
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):1.2

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