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889953-74-6 | 3-Pyridinecarboxylicacid, 5-chloro-6-(1-piperazinyl)-
CAS No: 889953-74-6 Catalog No: AG0046AN MDL No:MFCD06245471
Product Description
Catalog Number:
AG0046AN
Chemical Name:
3-Pyridinecarboxylicacid, 5-chloro-6-(1-piperazinyl)-
CAS Number:
889953-74-6
Molecular Formula:
C10H12ClN3O2
Molecular Weight:
241.6742
MDL Number:
MFCD06245471
IUPAC Name:
5-chloro-6-piperazin-1-ylpyridine-3-carboxylic acid
InChI:
InChI=1S/C10H12ClN3O2/c11-8-5-7(10(15)16)6-13-9(8)14-3-1-12-2-4-14/h5-6,12H,1-4H2,(H,15,16)
InChI Key:
YWIMUHQNVJTAKH-UHFFFAOYSA-N
SMILES:
Clc1cc(cnc1N1CCNCC1)C(=O)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.675g/mol
Monoisotopic Mass:
241.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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