5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol

C13H13Br2IN2O — CID 159960956

IUPAC5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol
SMILESBrc1ccc(I)nc1.[13CH3][13C]([13CH3])(O)c1ccc(Br)cn1
InChIInChI=1S/C8H10BrNO.C5H3BrIN/c1-8(2,11)7-4-3-6(9)5-10-7;6-4-1-2-5(7)8-3-4/h3-5,11H,1-2H3;1-3H/i1+1,2+1,8+1;
InChIKeyODHXUOFTWZBUPG-FXRDHQQHSA-N
MW502.95 g/mol
LogP4.52
Rot. Bonds1

About 5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol

5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol (PubChem CID 159960956) has the molecular formula C13H13Br2IN2O and a molecular weight of 502.95 g/mol. Its IUPAC name is 5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol.

Molecular Properties

Compound Name5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol
PubChem CID159960956
Molecular FormulaC13H13Br2IN2O
Molecular Weight502.95 g/mol
Exact Mass500.85
IUPAC Name5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol
SMILESBrc1ccc(I)nc1.[13CH3][13C]([13CH3])(O)c1ccc(Br)cn1
InChIInChI=1S/C8H10BrNO.C5H3BrIN/c1-8(2,11)7-4-3-6(9)5-10-7;6-4-1-2-5(7)8-3-4/h3-5,11H,1-2H3;1-3H/i1+1,2+1,8+1;
InChIKeyODHXUOFTWZBUPG-FXRDHQQHSA-N
XLogP4.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.95
LogP ≤ 54.52
H-Bond Donors ≤ 51
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

2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane
CID 160502739
5-bromo-2-(1,1-difluoroethyl)pyridine
CID 118395151
1-(5-bromo-2-pyridinyl)-2,2,2-trifluoroethane-1,1-diol
CID 71418868
1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol
CID 90380506
bis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride
CID 158478724
2-(5-bromo-2-pyridinyl)-N-(5-bromo-1,3-thiazol-2-yl)-2-methylpropanamide
CID 166329305
2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol
CID 155384095
1-(5-bromo-2-pyridinyl)-1-phenylethane-1,2-diol
CID 12026658
(5-bromo-2-pyridinyl)-(1-methylcyclopropyl)-pyrimidin-5-ylmethanol
CID 118463911
2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one
CID 164562677
2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol
CID 177140197
ethyl 2-(5-bromo-2-pyridinyl)-2-cyanopropanoate
CID 104572258

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol?
The IUPAC name of 5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol (CID 159960956) is 5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol.
What is the SMILES notation for 5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol?
The canonical SMILES for 5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol is Brc1ccc(I)nc1.[13CH3][13C]([13CH3])(O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol?
The InChIKey is ODHXUOFTWZBUPG-FXRDHQQHSA-N. The full InChI is InChI=1S/C8H10BrNO.C5H3BrIN/c1-8(2,11)7-4-3-6(9)5-10-7;6-4-1-2-5(7)8-3-4/h3-5,11H,1-2H3;1-3H/i1+1,2+1,8+1;.
What are the key properties of 5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol?
5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol has a molecular weight of 502.95 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol is sourced from PubChem (CID 159960956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).