(5-amino-2-chloro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

C11H14ClN3O2 — CID 114089622

IUPAC(5-amino-2-chloro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESNc1cnc(Cl)cc1C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C11H14ClN3O2/c12-10-4-8(9(13)5-14-10)11(17)15-3-1-2-7(16)6-15/h4-5,7,16H,1-3,6,13H2/t7-/m0/s1
InChIKeyMVEMTNFGYLPNTN-ZETCQYMHSA-N
MW255.70 g/mol
LogP0.91
Rot. Bonds1

About (5-amino-2-chloro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

(5-amino-2-chloro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 114089622) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is (5-amino-2-chloro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-chloro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID114089622
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name(5-amino-2-chloro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESNc1cnc(Cl)cc1C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C11H14ClN3O2/c12-10-4-8(9(13)5-14-10)11(17)15-3-1-2-7(16)6-15/h4-5,7,16H,1-3,6,13H2/t7-/m0/s1
InChIKeyMVEMTNFGYLPNTN-ZETCQYMHSA-N
XLogP0.91
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211689
(2-amino-4,5-dimethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211722
(3,6-dichloropyridazin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291069
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
(3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 61094418
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2,5-dichloro-4-pyridinyl)methanone
CID 114918468
(5-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032502
(5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211702
(3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 58736699
(3-amino-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 89246142
(4-chloro-2,5-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 82772196
(2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 107024550

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-chloro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (5-amino-2-chloro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 114089622) is (5-amino-2-chloro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2-chloro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (5-amino-2-chloro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is Nc1cnc(Cl)cc1C(=O)N1CCC[C@H](O)C1.
What is the InChIKey of (5-amino-2-chloro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is MVEMTNFGYLPNTN-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-10-4-8(9(13)5-14-10)11(17)15-3-1-2-7(16)6-15/h4-5,7,16H,1-3,6,13H2/t7-/m0/s1.
What are the key properties of (5-amino-2-chloro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
(5-amino-2-chloro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 255.70 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-chloro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 114089622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).