Chemical ID: 3967816

c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F
Chemical ID:
3967816
Name [?]:
2-[3-(trifluoromethyl)phenyl]aminopyridine-3-carboxylic acid
SMILES [?]:
c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F
InChi [?]:
InChI=1/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,4,3,5,9,8,14,17,18,19,20,13,7,15,16/E:(14,15,16)(19,20)/rA:20nCCCCCCNCCCCCNCOOCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s9;d14;s14;s3;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9F3N2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.91886
Area:426.397
Solvation:-2.74107
Coulombic:-63.1642
Bond Count [?]
All:21
Single:14
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:282.218
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.89
LogP (Chemaxon):1.82

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