6-[4-(hydroxymethyl)imidazol-1-yl]pyridin-3-ol

C9H9N3O2 — CID 176828851

IUPAC6-[4-(hydroxymethyl)imidazol-1-yl]pyridin-3-ol
SMILESOCc1cn(-c2ccc(O)cn2)cn1
InChIInChI=1S/C9H9N3O2/c13-5-7-4-12(6-11-7)9-2-1-8(14)3-10-9/h1-4,6,13-14H,5H2
InChIKeyKKQNEIFRJAVLPX-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.47
Rot. Bonds2

About 6-[4-(hydroxymethyl)imidazol-1-yl]pyridin-3-ol

6-[4-(hydroxymethyl)imidazol-1-yl]pyridin-3-ol (PubChem CID 176828851) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)imidazol-1-yl]pyridin-3-ol.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)imidazol-1-yl]pyridin-3-ol
PubChem CID176828851
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name6-[4-(hydroxymethyl)imidazol-1-yl]pyridin-3-ol
SMILESOCc1cn(-c2ccc(O)cn2)cn1
InChIInChI=1S/C9H9N3O2/c13-5-7-4-12(6-11-7)9-2-1-8(14)3-10-9/h1-4,6,13-14H,5H2
InChIKeyKKQNEIFRJAVLPX-UHFFFAOYSA-N
XLogP0.47
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(5-bromo-2-pyridinyl)imidazol-4-yl]methanol
CID 68511931
6-(1,2,4-triazol-4-yl)pyridin-3-ol
CID 130360606
6-(hydroxymethyl)pyridin-3-ol;hydrochloride
CID 18758423
[1-(1-ethylpyrazol-3-yl)imidazol-4-yl]methanol
CID 130495834
[1-(5-bromo-3-pyridinyl)imidazol-4-yl]methanol
CID 130487124
[1-[4-(aminomethyl)phenyl]imidazol-4-yl]methanol
CID 174723685
[1-(3,4-dichlorophenyl)imidazol-4-yl]methanol
CID 23444980
[1-(2-methylphenyl)imidazol-4-yl]methanol
CID 70502575
[1-(2-ethylphenyl)imidazol-4-yl]methanol
CID 99990399
[1-(4-methylsulfanylphenyl)imidazol-4-yl]methanol
CID 23445034
N-[[1-(5-methyl-2-pyridinyl)imidazol-4-yl]methyl]propan-1-amine
CID 114203832
2-[4-(hydroxymethyl)imidazol-1-yl]quinoline-4-carboxamide
CID 172628152

Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)imidazol-1-yl]pyridin-3-ol?
The IUPAC name of 6-[4-(hydroxymethyl)imidazol-1-yl]pyridin-3-ol (CID 176828851) is 6-[4-(hydroxymethyl)imidazol-1-yl]pyridin-3-ol.
What is the SMILES notation for 6-[4-(hydroxymethyl)imidazol-1-yl]pyridin-3-ol?
The canonical SMILES for 6-[4-(hydroxymethyl)imidazol-1-yl]pyridin-3-ol is OCc1cn(-c2ccc(O)cn2)cn1.
What is the InChIKey of 6-[4-(hydroxymethyl)imidazol-1-yl]pyridin-3-ol?
The InChIKey is KKQNEIFRJAVLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c13-5-7-4-12(6-11-7)9-2-1-8(14)3-10-9/h1-4,6,13-14H,5H2.
What are the key properties of 6-[4-(hydroxymethyl)imidazol-1-yl]pyridin-3-ol?
6-[4-(hydroxymethyl)imidazol-1-yl]pyridin-3-ol has a molecular weight of 191.19 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)imidazol-1-yl]pyridin-3-ol is sourced from PubChem (CID 176828851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).