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Compound EN300-121824

CAT: 0013-GTR19280023-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19280023-01Size:1 mg
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Description
Compound EN300-121824, with CAS No. 1423035-04-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound EN300-121824 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
1423035-04-4
Smiles
Cl.Cl.CN1CCN (CC1) c1cccc (n1) C (O) =O
Molecular Formula
C11H17Cl2N3O2
Molecular Weight
294.178
Notes
For research use only.

Chemical Information

6-(4-Methylpiperazin-1-yl)pyridine-2-carboxylic acid dihydrochloride
CAS Number1423035-04-4
PubChem CID71757607
IUPAC Name6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;dihydrochloride
Molecular FormulaC11H17Cl2N3O2
Molecular Weight294.17
Topological Polar Surface Area56.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity252
SMILES
CN1CCN(CC1)C2=CC=CC(=N2)C(=O)O.Cl.Cl
InChI
InChI=1S/C11H15N3O2.2ClH/c1-13-5-7-14(8-6-13)10-4-2-3-9(12-10)11(15)16;;/h2-4H,5-8H2,1H3,(H,15,16);2*1H
InChIKey
NSKHXCVTFKMCJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(4-Methylpiperazin-1-yl)pyridine-2-carboxylic acid dihydrochloride
CAS: 1423035-04-4
CID: 71757607
Formula: C11H17Cl2N3O2
MW: 294.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.17
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass293.0697822
Monoisotopic Mass293.0697822
Topological Polar Surface Area56.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity252
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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