(5-bromo-2-hydrazinyl-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

C13H19BrN4O3 — CID 114780192

IUPAC(5-bromo-2-hydrazinyl-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2cc(Br)cnc2NN)CC(CO)O1
InChIInChI=1S/C13H19BrN4O3/c1-13(2)7-18(5-9(6-19)21-13)12(20)10-3-8(14)4-16-11(10)17-15/h3-4,9,19H,5-7,15H2,1-2H3,(H,16,17)
InChIKeyYKEIYMIHFWJWEB-UHFFFAOYSA-N
MW359.22 g/mol
LogP0.74
Rot. Bonds3

About (5-bromo-2-hydrazinyl-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

(5-bromo-2-hydrazinyl-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (PubChem CID 114780192) has the molecular formula C13H19BrN4O3 and a molecular weight of 359.22 g/mol. Its IUPAC name is (5-bromo-2-hydrazinyl-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-hydrazinyl-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
PubChem CID114780192
Molecular FormulaC13H19BrN4O3
Molecular Weight359.22 g/mol
Exact Mass358.06
IUPAC Name(5-bromo-2-hydrazinyl-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2cc(Br)cnc2NN)CC(CO)O1
InChIInChI=1S/C13H19BrN4O3/c1-13(2)7-18(5-9(6-19)21-13)12(20)10-3-8(14)4-16-11(10)17-15/h3-4,9,19H,5-7,15H2,1-2H3,(H,16,17)
InChIKeyYKEIYMIHFWJWEB-UHFFFAOYSA-N
XLogP0.74
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydrazinyl-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (5-bromo-2-hydrazinyl-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (CID 114780192) is (5-bromo-2-hydrazinyl-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (5-bromo-2-hydrazinyl-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (5-bromo-2-hydrazinyl-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is CC1(C)CN(C(=O)c2cc(Br)cnc2NN)CC(CO)O1.
What is the InChIKey of (5-bromo-2-hydrazinyl-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The InChIKey is YKEIYMIHFWJWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O3/c1-13(2)7-18(5-9(6-19)21-13)12(20)10-3-8(14)4-16-11(10)17-15/h3-4,9,19H,5-7,15H2,1-2H3,(H,16,17).
What are the key properties of (5-bromo-2-hydrazinyl-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
(5-bromo-2-hydrazinyl-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone has a molecular weight of 359.22 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydrazinyl-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 114780192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).