(5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C13H19BrN4O2 — CID 62243989

IUPAC(5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNNc1ncc(Br)cc1C(=O)N1CCCCC1CCO
InChIInChI=1S/C13H19BrN4O2/c14-9-7-11(12(17-15)16-8-9)13(20)18-5-2-1-3-10(18)4-6-19/h7-8,10,19H,1-6,15H2,(H,16,17)
InChIKeyJANCDLZWAQOINZ-UHFFFAOYSA-N
MW343.23 g/mol
LogP1.51
Rot. Bonds4

About (5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

(5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 62243989) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is (5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID62243989
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC Name(5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNNc1ncc(Br)cc1C(=O)N1CCCCC1CCO
InChIInChI=1S/C13H19BrN4O2/c14-9-7-11(12(17-15)16-8-9)13(20)18-5-2-1-3-10(18)4-6-19/h7-8,10,19H,1-6,15H2,(H,16,17)
InChIKeyJANCDLZWAQOINZ-UHFFFAOYSA-N
XLogP1.51
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-bromo-2-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 83061828
(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62958660
[5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone
CID 104691769
(2-bromo-4,5-difluorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 86814312
(5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 102704877
(5-amino-2-bromo-4-fluorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62814891
[2-(cyclopropylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 84574317
(5-bromo-2-hydrazinyl-3-pyridinyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79187114
(5-bromo-2-hydrazinyl-3-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63769333
[2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone
CID 114374400
(5-bromo-2-hydrazinyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 62238043
6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 43427369

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 62243989) is (5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is NNc1ncc(Br)cc1C(=O)N1CCCCC1CCO.
What is the InChIKey of (5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is JANCDLZWAQOINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c14-9-7-11(12(17-15)16-8-9)13(20)18-5-2-1-3-10(18)4-6-19/h7-8,10,19H,1-6,15H2,(H,16,17).
What are the key properties of (5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
(5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 343.23 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62243989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).