[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methanol

C9H8BrN3O — CID 130487124

IUPAC[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methanol
SMILESOCc1cn(-c2cncc(Br)c2)cn1
InChIInChI=1S/C9H8BrN3O/c10-7-1-9(3-11-2-7)13-4-8(5-14)12-6-13/h1-4,6,14H,5H2
InChIKeyVAEFRXMMKDVMFZ-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.52
Rot. Bonds2

About [1-(5-bromo-3-pyridinyl)imidazol-4-yl]methanol

[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methanol (PubChem CID 130487124) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is [1-(5-bromo-3-pyridinyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methanol
PubChem CID130487124
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methanol
SMILESOCc1cn(-c2cncc(Br)c2)cn1
InChIInChI=1S/C9H8BrN3O/c10-7-1-9(3-11-2-7)13-4-8(5-14)12-6-13/h1-4,6,14H,5H2
InChIKeyVAEFRXMMKDVMFZ-UHFFFAOYSA-N
XLogP1.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methyl]cyclopropanamine
CID 114223441
[1-(5-bromo-2-pyridinyl)imidazol-4-yl]methanol
CID 68511931
[1-(3,4-dichlorophenyl)imidazol-4-yl]methanol
CID 23444980
6-[4-(hydroxymethyl)imidazol-1-yl]pyridin-3-ol
CID 176828851
[1-[4-(aminomethyl)phenyl]imidazol-4-yl]methanol
CID 174723685
[1-(4-fluoro-3-methylphenyl)imidazol-4-yl]methanol
CID 23445149
[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-4-yl]methanol
CID 23445211
[1-(4-bromophenyl)imidazol-4-yl]methanamine
CID 82481393
5-[4-(hydroxymethyl)imidazol-1-yl]-2-methylbenzonitrile
CID 175229447
6-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-2-methylpyridazin-3-one
CID 68510946
N-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 114254464
N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718876

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-pyridinyl)imidazol-4-yl]methanol?
The IUPAC name of [1-(5-bromo-3-pyridinyl)imidazol-4-yl]methanol (CID 130487124) is [1-(5-bromo-3-pyridinyl)imidazol-4-yl]methanol.
What is the SMILES notation for [1-(5-bromo-3-pyridinyl)imidazol-4-yl]methanol?
The canonical SMILES for [1-(5-bromo-3-pyridinyl)imidazol-4-yl]methanol is OCc1cn(-c2cncc(Br)c2)cn1.
What is the InChIKey of [1-(5-bromo-3-pyridinyl)imidazol-4-yl]methanol?
The InChIKey is VAEFRXMMKDVMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O/c10-7-1-9(3-11-2-7)13-4-8(5-14)12-6-13/h1-4,6,14H,5H2.
What are the key properties of [1-(5-bromo-3-pyridinyl)imidazol-4-yl]methanol?
[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methanol has a molecular weight of 254.09 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-pyridinyl)imidazol-4-yl]methanol is sourced from PubChem (CID 130487124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).