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Chemical ID: 4663675
Chemical ID:
4663675
Name [?]:
3-(2-pyridyl)aniline
SMILES [?]:
c1ccnc(c1)c2cccc(c2)N
InChi [?]:
InChI=1/C11H10N2/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,9,8,10,6,3,12,7,11,5,13,4/rA:13nCCCNCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10N2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.9586 |
Area: | 341.905 |
Solvation: | -1.58902 |
Coulombic: | -22.7418 |
Bond Count [?]
All: | 14 |
Single: | 8 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 170.211 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.98 |
LogP (Chemaxon): | 2.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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