[2-fluoro-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol

C5H7FN2O2 — CID 150748476

IUPAC[2-fluoro-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol
SMILESOCc1nc(F)[nH]c1CO
InChIInChI=1S/C5H7FN2O2/c6-5-7-3(1-9)4(2-10)8-5/h9-10H,1-2H2,(H,7,8)
InChIKeyJVISFJWXUCTPEQ-UHFFFAOYSA-N
MW146.12 g/mol
LogP-0.47
Rot. Bonds2

About [2-fluoro-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol

[2-fluoro-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol (PubChem CID 150748476) has the molecular formula C5H7FN2O2 and a molecular weight of 146.12 g/mol. Its IUPAC name is [2-fluoro-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-fluoro-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol
PubChem CID150748476
Molecular FormulaC5H7FN2O2
Molecular Weight146.12 g/mol
Exact Mass146.05
IUPAC Name[2-fluoro-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol
SMILESOCc1nc(F)[nH]c1CO
InChIInChI=1S/C5H7FN2O2/c6-5-7-3(1-9)4(2-10)8-5/h9-10H,1-2H2,(H,7,8)
InChIKeyJVISFJWXUCTPEQ-UHFFFAOYSA-N
XLogP-0.47
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.12
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-fluoro-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol (CID 150748476) is [2-fluoro-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-fluoro-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-fluoro-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol is OCc1nc(F)[nH]c1CO.
What is the InChIKey of [2-fluoro-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol?
The InChIKey is JVISFJWXUCTPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2O2/c6-5-7-3(1-9)4(2-10)8-5/h9-10H,1-2H2,(H,7,8).
What are the key properties of [2-fluoro-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol?
[2-fluoro-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol has a molecular weight of 146.12 g/mol, XLogP of -0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 150748476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).