actinium;3-(5-bromo-2-pyridinyl)prop-2-ynylazanide

C8H6AcBrN2- — CID 21299387

IUPACactinium;3-(5-bromo-2-pyridinyl)prop-2-ynylazanide
SMILES[Ac].[NH-]CC#Cc1ccc(Br)cn1
InChIInChI=1S/C8H6BrN2.Ac/c9-7-3-4-8(11-6-7)2-1-5-10;/h3-4,6,10H,5H2;/q-1;
InChIKeyPMODMMAHXHTZLJ-UHFFFAOYSA-N
MW437.05 g/mol
LogP2.25
Rot. Bonds

About actinium;3-(5-bromo-2-pyridinyl)prop-2-ynylazanide

actinium;3-(5-bromo-2-pyridinyl)prop-2-ynylazanide (PubChem CID 21299387) has the molecular formula C8H6AcBrN2- and a molecular weight of 437.05 g/mol. Its IUPAC name is actinium;3-(5-bromo-2-pyridinyl)prop-2-ynylazanide.

Molecular Properties

Compound Nameactinium;3-(5-bromo-2-pyridinyl)prop-2-ynylazanide
PubChem CID21299387
Molecular FormulaC8H6AcBrN2-
Molecular Weight437.05 g/mol
Exact Mass436.00
IUPAC Nameactinium;3-(5-bromo-2-pyridinyl)prop-2-ynylazanide
SMILES[Ac].[NH-]CC#Cc1ccc(Br)cn1
InChIInChI=1S/C8H6BrN2.Ac/c9-7-3-4-8(11-6-7)2-1-5-10;/h3-4,6,10H,5H2;/q-1;
InChIKeyPMODMMAHXHTZLJ-UHFFFAOYSA-N
XLogP2.25
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.05
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-but-1-ynylpyridine
CID 22502672
5-bromo-2-[2-(4-methylphenyl)ethynyl]pyridine
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CID 89485429
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
9H-fluoren-9-ylmethyl N-[4-(5-bromo-2-pyridinyl)but-3-ynyl]carbamate
CID 170461785
5-bromo-2-[2-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethynyl]pyridine
CID 69060172
2,5-dibromopyridine;ethane
CID 90871570
5-bromopyridine-2-thiolate
CID 26338075
(1S)-1-(5-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171222795
(3R)-3-amino-3-(5-bromo-2-pyridinyl)propanenitrile
CID 130673269
5-bromopyridin-2-amine;hydrochloride
CID 22615197
(1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine
CID 131118486

Frequently Asked Questions

What is the IUPAC name of actinium;3-(5-bromo-2-pyridinyl)prop-2-ynylazanide?
The IUPAC name of actinium;3-(5-bromo-2-pyridinyl)prop-2-ynylazanide (CID 21299387) is actinium;3-(5-bromo-2-pyridinyl)prop-2-ynylazanide.
What is the SMILES notation for actinium;3-(5-bromo-2-pyridinyl)prop-2-ynylazanide?
The canonical SMILES for actinium;3-(5-bromo-2-pyridinyl)prop-2-ynylazanide is [Ac].[NH-]CC#Cc1ccc(Br)cn1.
What is the InChIKey of actinium;3-(5-bromo-2-pyridinyl)prop-2-ynylazanide?
The InChIKey is PMODMMAHXHTZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN2.Ac/c9-7-3-4-8(11-6-7)2-1-5-10;/h3-4,6,10H,5H2;/q-1;.
What are the key properties of actinium;3-(5-bromo-2-pyridinyl)prop-2-ynylazanide?
actinium;3-(5-bromo-2-pyridinyl)prop-2-ynylazanide has a molecular weight of 437.05 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;3-(5-bromo-2-pyridinyl)prop-2-ynylazanide is sourced from PubChem (CID 21299387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).