2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine

C13H11BrClIN2 — CID 103216227

IUPAC2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H11BrClIN2/c14-10-3-8(6-18-7-10)4-13(17)9-1-2-12(16)11(15)5-9/h1-3,5-7,13H,4,17H2
InChIKeyVRZFTHCHZVEQQX-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.34
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine

2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine (PubChem CID 103216227) has the molecular formula C13H11BrClIN2 and a molecular weight of 437.51 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine
PubChem CID103216227
Molecular FormulaC13H11BrClIN2
Molecular Weight437.51 g/mol
Exact Mass435.88
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H11BrClIN2/c14-10-3-8(6-18-7-10)4-13(17)9-1-2-12(16)11(15)5-9/h1-3,5-7,13H,4,17H2
InChIKeyVRZFTHCHZVEQQX-UHFFFAOYSA-N
XLogP4.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995163
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine
CID 103214534
2-(5-bromo-3-pyridinyl)-1-(2-chlorophenyl)ethanamine
CID 113454887
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105181188
2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105036758
2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103214557
1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol
CID 115833417
1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine
CID 103216088
2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 105036748
2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine
CID 104800998
(1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine
CID 130942031

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine (CID 103216227) is 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine is NC(Cc1cncc(Br)c1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine?
The InChIKey is VRZFTHCHZVEQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClIN2/c14-10-3-8(6-18-7-10)4-13(17)9-1-2-12(16)11(15)5-9/h1-3,5-7,13H,4,17H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine?
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine has a molecular weight of 437.51 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine is sourced from PubChem (CID 103216227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).