1-(6-bromo-2-methyl-3-pyridinyl)ethenol;ethane

C10H14BrNO — CID 177153642

IUPAC1-(6-bromo-2-methyl-3-pyridinyl)ethenol;ethane
SMILESC=C(O)c1ccc(Br)nc1C.CC
InChIInChI=1S/C8H8BrNO.C2H6/c1-5-7(6(2)11)3-4-8(9)10-5;1-2/h3-4,11H,2H2,1H3;1-2H3
InChIKeyRFHFOWAWMCUUSX-UHFFFAOYSA-N
MW244.13 g/mol
LogP3.71
Rot. Bonds1

About 1-(6-bromo-2-methyl-3-pyridinyl)ethenol;ethane

1-(6-bromo-2-methyl-3-pyridinyl)ethenol;ethane (PubChem CID 177153642) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 1-(6-bromo-2-methyl-3-pyridinyl)ethenol;ethane.

Molecular Properties

Compound Name1-(6-bromo-2-methyl-3-pyridinyl)ethenol;ethane
PubChem CID177153642
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name1-(6-bromo-2-methyl-3-pyridinyl)ethenol;ethane
SMILESC=C(O)c1ccc(Br)nc1C.CC
InChIInChI=1S/C8H8BrNO.C2H6/c1-5-7(6(2)11)3-4-8(9)10-5;1-2/h3-4,11H,2H2,1H3;1-2H3
InChIKeyRFHFOWAWMCUUSX-UHFFFAOYSA-N
XLogP3.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N,N'-diamino-6-bromo-2-methylpyridine-3-carboximidamide
CID 168939307
1-(6-bromo-2-methyl-3-pyridinyl)-2,2-dimethylpentan-1-one
CID 171557672
6-bromo-3-fluoro-2-methylpyridine
CID 118703748
6-bromo-2-methyl-3-propan-2-ylpyridine
CID 143746105
1-(6-bromo-2-methyl-3-pyridinyl)ethane-1,2-diol;ethane
CID 168939076
6-bromo-2-methylpyridine-3-sulfonic acid
CID 159818878
1-(6-bromo-2-pyridinyl)ethenol
CID 143676392
6-bromo-2-methyl-3-methylsulfanylpyridine
CID 175568544
N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide
CID 113349911
N-(6-bromo-2-methyl-3-pyridinyl)-4-chloro-2-methylbenzamide
CID 103909568
N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide
CID 113349854
6-bromo-2-methyl-3-methylsulfanylpyridine;hydrochloride
CID 175568543

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-methyl-3-pyridinyl)ethenol;ethane?
The IUPAC name of 1-(6-bromo-2-methyl-3-pyridinyl)ethenol;ethane (CID 177153642) is 1-(6-bromo-2-methyl-3-pyridinyl)ethenol;ethane.
What is the SMILES notation for 1-(6-bromo-2-methyl-3-pyridinyl)ethenol;ethane?
The canonical SMILES for 1-(6-bromo-2-methyl-3-pyridinyl)ethenol;ethane is C=C(O)c1ccc(Br)nc1C.CC.
What is the InChIKey of 1-(6-bromo-2-methyl-3-pyridinyl)ethenol;ethane?
The InChIKey is RFHFOWAWMCUUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO.C2H6/c1-5-7(6(2)11)3-4-8(9)10-5;1-2/h3-4,11H,2H2,1H3;1-2H3.
What are the key properties of 1-(6-bromo-2-methyl-3-pyridinyl)ethenol;ethane?
1-(6-bromo-2-methyl-3-pyridinyl)ethenol;ethane has a molecular weight of 244.13 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-methyl-3-pyridinyl)ethenol;ethane is sourced from PubChem (CID 177153642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).