Chemical ID: 5644812

COC(=O)c1cccc(n1)C(=O)Nc2ccc(cc2)Br
Chemical ID:
5644812
Name [?]:
methyl 6-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylate
SMILES [?]:
COC(=O)c1cccc(n1)C(=O)Nc2ccc(cc2)Br
InChi [?]:
InChI=1/C14H11BrN2O3/c1-20-14(19)12-4-2-3-11(17-12)13(18)16-10-7-5-9(15)6-8-10/h2-8H,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,16,18,15,19,17,14,9,5,11,3,20,13,10,12,4,2/E:(5,6)(7,8)/rA:20nCOCOCCCCCNCONCCCCCCBr/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11BrN2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.65691
Area:486.143
Solvation:-2.49668
Coulombic:-49.3964
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.153
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.65
LogP (Chemaxon):2.93

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