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1011464-52-0 | 3-Pyridinecarboxylic acid, 6-chloro-4-[(1-methylethyl)amino]-, ethyl ester
CAS No: 1011464-52-0 Catalog No: AG0003U7 MDL No:
Product Description
Catalog Number:
AG0003U7
Chemical Name:
3-Pyridinecarboxylic acid, 6-chloro-4-[(1-methylethyl)amino]-, ethyl ester
CAS Number:
1011464-52-0
Molecular Formula:
C11H15ClN2O2
Molecular Weight:
242.7020
IUPAC Name:
ethyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate
InChI:
InChI=1S/C11H15ClN2O2/c1-4-16-11(15)8-6-13-10(12)5-9(8)14-7(2)3/h5-7H,4H2,1-3H3,(H,13,14)
InChI Key:
NPTVZUXYHNHOJK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(cc1NC(C)C)Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.703g/mol
Monoisotopic Mass:
242.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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