Chemical ID: 4122480

CCOC(=O)c1cccnc1Cl
Chemical ID:
4122480
Name [?]:
ethyl 2-chloropyridine-3-carboxylate
SMILES [?]:
CCOC(=O)c1cccnc1Cl
InChi [?]:
InChI=1/C8H8ClNO2/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:12nCCOCOCCCCNCCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8ClNO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.83961
Area:346.345
Solvation:-1.81901
Coulombic:-25.3851
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:185.607
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.84
LogP (Chemaxon):1.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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