2-(5-bromo-3-pyridinyl)prop-2-en-1-ol

C8H8BrNO — CID 67055974

IUPAC2-(5-bromo-3-pyridinyl)prop-2-en-1-ol
SMILESC=C(CO)c1cncc(Br)c1
InChIInChI=1S/C8H8BrNO/c1-6(5-11)7-2-8(9)4-10-3-7/h2-4,11H,1,5H2
InChIKeyYAKMBBIQLZHOBD-UHFFFAOYSA-N
MW214.06 g/mol
LogP1.85
Rot. Bonds2

About 2-(5-bromo-3-pyridinyl)prop-2-en-1-ol

2-(5-bromo-3-pyridinyl)prop-2-en-1-ol (PubChem CID 67055974) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)prop-2-en-1-ol
PubChem CID67055974
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name2-(5-bromo-3-pyridinyl)prop-2-en-1-ol
SMILESC=C(CO)c1cncc(Br)c1
InChIInChI=1S/C8H8BrNO/c1-6(5-11)7-2-8(9)4-10-3-7/h2-4,11H,1,5H2
InChIKeyYAKMBBIQLZHOBD-UHFFFAOYSA-N
XLogP1.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-prop-1-en-2-ylpyridine
CID 86707020
bis(5-bromo-3-pyridinyl)methanone
CID 150630113
1-(5-bromo-3-pyridinyl)ethanone
CID 820423
5-bromo-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 114617380
1-(5-bromo-3-pyridinyl)-2-methylpropan-1-one
CID 20782622
5-bromopyridin-3-ol
CID 599529
ethyl 5-bromopyridine-3-carboximidate
CID 79018458
ethyl 3-(5-bromo-3-pyridinyl)-3-oxopropanoate
CID 2763056
[(3R)-5-(5-bromopyridine-3-carbonyl)oxy-3-cyano-4-oxopent-1-en-2-yl]azanium
CID 7041777
5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 115772011
5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
CID 61381313
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)prop-2-en-1-ol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)prop-2-en-1-ol (CID 67055974) is 2-(5-bromo-3-pyridinyl)prop-2-en-1-ol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)prop-2-en-1-ol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)prop-2-en-1-ol is C=C(CO)c1cncc(Br)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)prop-2-en-1-ol?
The InChIKey is YAKMBBIQLZHOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c1-6(5-11)7-2-8(9)4-10-3-7/h2-4,11H,1,5H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)prop-2-en-1-ol?
2-(5-bromo-3-pyridinyl)prop-2-en-1-ol has a molecular weight of 214.06 g/mol, XLogP of 1.85, 2 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)prop-2-en-1-ol is sourced from PubChem (CID 67055974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).