(1S)-1-(6-bromo-5-iodo-2-pyridinyl)ethane-1,2-diamine

C7H9BrIN3 — CID 130632441

IUPAC(1S)-1-(6-bromo-5-iodo-2-pyridinyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1ccc(I)c(Br)n1
InChIInChI=1S/C7H9BrIN3/c8-7-4(9)1-2-6(12-7)5(11)3-10/h1-2,5H,3,10-11H2/t5-/m0/s1
InChIKeyMYPGUNLNHAMVEJ-YFKPBYRVSA-N
MW341.98 g/mol
LogP1.41
Rot. Bonds2

About (1S)-1-(6-bromo-5-iodo-2-pyridinyl)ethane-1,2-diamine

(1S)-1-(6-bromo-5-iodo-2-pyridinyl)ethane-1,2-diamine (PubChem CID 130632441) has the molecular formula C7H9BrIN3 and a molecular weight of 341.98 g/mol. Its IUPAC name is (1S)-1-(6-bromo-5-iodo-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(6-bromo-5-iodo-2-pyridinyl)ethane-1,2-diamine
PubChem CID130632441
Molecular FormulaC7H9BrIN3
Molecular Weight341.98 g/mol
Exact Mass340.90
IUPAC Name(1S)-1-(6-bromo-5-iodo-2-pyridinyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1ccc(I)c(Br)n1
InChIInChI=1S/C7H9BrIN3/c8-7-4(9)1-2-6(12-7)5(11)3-10/h1-2,5H,3,10-11H2/t5-/m0/s1
InChIKeyMYPGUNLNHAMVEJ-YFKPBYRVSA-N
XLogP1.41
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.98
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[6-(1,2-diaminoethyl)-2-pyridinyl]methanol
CID 55291801
1-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl)ethane-1,2-diamine
CID 140544732
6-[(1R)-1,2-diaminoethyl]pyridin-3-ol
CID 55274421
(1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine
CID 74891570
[2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine
CID 130095088
1-(2,3-dibromophenyl)ethane-1,2-diamine
CID 130043520
1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]ethane-1,2-diamine
CID 170894759
(1S)-1-(6-bromo-2-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171222954
(1R)-1-(4-iodophenyl)ethane-1,2-diamine;hydrochloride
CID 171222425
[2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine
CID 130068220
(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
CID 55296429
(1S)-1-(6-bromo-2-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171222972

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-bromo-5-iodo-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of (1S)-1-(6-bromo-5-iodo-2-pyridinyl)ethane-1,2-diamine (CID 130632441) is (1S)-1-(6-bromo-5-iodo-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(6-bromo-5-iodo-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(6-bromo-5-iodo-2-pyridinyl)ethane-1,2-diamine is NC[C@H](N)c1ccc(I)c(Br)n1.
What is the InChIKey of (1S)-1-(6-bromo-5-iodo-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is MYPGUNLNHAMVEJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9BrIN3/c8-7-4(9)1-2-6(12-7)5(11)3-10/h1-2,5H,3,10-11H2/t5-/m0/s1.
What are the key properties of (1S)-1-(6-bromo-5-iodo-2-pyridinyl)ethane-1,2-diamine?
(1S)-1-(6-bromo-5-iodo-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 341.98 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-bromo-5-iodo-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 130632441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).