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1280786-65-3 | 2-Pyridinecarboxylic acid, 6-amino-3-[4-(1,1-dimethylethyl)phenyl]-, methyl ester
CAS No: 1280786-65-3 Catalog No: AG000XRX MDL No:MFCD18783204
Product Description
Catalog Number:
AG000XRX
Chemical Name:
2-Pyridinecarboxylic acid, 6-amino-3-[4-(1,1-dimethylethyl)phenyl]-, methyl ester
CAS Number:
1280786-65-3
Molecular Formula:
C17H20N2O2
Molecular Weight:
284.3529
MDL Number:
MFCD18783204
IUPAC Name:
methyl 6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylate
InChI:
InChI=1S/C17H20N2O2/c1-17(2,3)12-7-5-11(6-8-12)13-9-10-14(18)19-15(13)16(20)21-4/h5-10H,1-4H3,(H2,18,19)
InChI Key:
DXBKSVVZXZVJGD-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(N)ccc1c1ccc(cc1)C(C)(C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.152g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.359g/mol
Monoisotopic Mass:
284.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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