(2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone

C13H12ClN3O — CID 104891089

IUPAC(2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone
SMILESNc1ncc(Cl)cc1C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C13H12ClN3O/c14-9-6-10(13(16)17-7-9)12(18)11(15)8-4-2-1-3-5-8/h1-7,11H,15H2,(H2,16,17)/t11-/m1/s1
InChIKeyAIKUXIJFJWIMPX-LLVKDONJSA-N
MW261.71 g/mol
LogP2.20
Rot. Bonds3

About (2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone

(2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone (PubChem CID 104891089) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is (2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone
PubChem CID104891089
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name(2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone
SMILESNc1ncc(Cl)cc1C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C13H12ClN3O/c14-9-6-10(13(16)17-7-9)12(18)11(15)8-4-2-1-3-5-8/h1-7,11H,15H2,(H2,16,17)/t11-/m1/s1
InChIKeyAIKUXIJFJWIMPX-LLVKDONJSA-N
XLogP2.20
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone?
The IUPAC name of (2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone (CID 104891089) is (2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone.
What is the SMILES notation for (2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone?
The canonical SMILES for (2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone is Nc1ncc(Cl)cc1C(=O)[C@H](N)c1ccccc1.
What is the InChIKey of (2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone?
The InChIKey is AIKUXIJFJWIMPX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-9-6-10(13(16)17-7-9)12(18)11(15)8-4-2-1-3-5-8/h1-7,11H,15H2,(H2,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone?
(2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone has a molecular weight of 261.71 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone is sourced from PubChem (CID 104891089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).