1-(5-bromo-3-pyridinyl)-N-iodomethanamine

C6H6BrIN2 — CID 91903017

IUPAC1-(5-bromo-3-pyridinyl)-N-iodomethanamine
SMILESBrc1cncc(CNI)c1
InChIInChI=1S/C6H6BrIN2/c7-6-1-5(3-10-8)2-9-4-6/h1-2,4,10H,3H2
InChIKeyYAHURDFTFKGALD-UHFFFAOYSA-N
MW312.94 g/mol
LogP2.28
Rot. Bonds2

About 1-(5-bromo-3-pyridinyl)-N-iodomethanamine

1-(5-bromo-3-pyridinyl)-N-iodomethanamine (PubChem CID 91903017) has the molecular formula C6H6BrIN2 and a molecular weight of 312.94 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N-iodomethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N-iodomethanamine
PubChem CID91903017
Molecular FormulaC6H6BrIN2
Molecular Weight312.94 g/mol
Exact Mass311.88
IUPAC Name1-(5-bromo-3-pyridinyl)-N-iodomethanamine
SMILESBrc1cncc(CNI)c1
InChIInChI=1S/C6H6BrIN2/c7-6-1-5(3-10-8)2-9-4-6/h1-2,4,10H,3H2
InChIKeyYAHURDFTFKGALD-UHFFFAOYSA-N
XLogP2.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.94
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]-3-iodopropan-1-amine
CID 114503620
N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine
CID 115745327
N-[(5-bromo-3-pyridinyl)methyl]methanesulfonamide
CID 59534656
1-[(5-bromo-3-pyridinyl)methylamino]-2-methylpropan-2-ol
CID 104796974
N-[(5-bromo-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine
CID 103527851
N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine
CID 104796938
N-[(5-bromo-3-pyridinyl)methyl]-3,4-dichloroaniline
CID 113454105
5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-3-amine
CID 114052008
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412103
N-[3-[(5-bromo-3-pyridinyl)methylamino]propyl]methanesulfonamide
CID 104856887
1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 104796853
N-[(5-bromo-3-pyridinyl)methyl]-3-chloro-2-methylpropan-1-amine
CID 104811203

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N-iodomethanamine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N-iodomethanamine (CID 91903017) is 1-(5-bromo-3-pyridinyl)-N-iodomethanamine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N-iodomethanamine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N-iodomethanamine is Brc1cncc(CNI)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N-iodomethanamine?
The InChIKey is YAHURDFTFKGALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrIN2/c7-6-1-5(3-10-8)2-9-4-6/h1-2,4,10H,3H2.
What are the key properties of 1-(5-bromo-3-pyridinyl)-N-iodomethanamine?
1-(5-bromo-3-pyridinyl)-N-iodomethanamine has a molecular weight of 312.94 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-N-iodomethanamine is sourced from PubChem (CID 91903017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).