4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole

C11H15N3O3 — CID 158995551

IUPAC4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole
SMILESCc1ncc(CO)c(CO)c1O.c1c[nH]cn1
InChIInChI=1S/C8H11NO3.C3H4N2/c1-5-8(12)7(4-11)6(3-10)2-9-5;1-2-5-3-4-1/h2,10-12H,3-4H2,1H3;1-3H,(H,4,5)
InChIKeyJQRSVQWCCCMVDL-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.49
Rot. Bonds2

About 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole

4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole (PubChem CID 158995551) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole.

Molecular Properties

Compound Name4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole
PubChem CID158995551
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole
SMILESCc1ncc(CO)c(CO)c1O.c1c[nH]cn1
InChIInChI=1S/C8H11NO3.C3H4N2/c1-5-8(12)7(4-11)6(3-10)2-9-5;1-2-5-3-4-1/h2,10-12H,3-4H2,1H3;1-3H,(H,4,5)
InChIKeyJQRSVQWCCCMVDL-UHFFFAOYSA-N
XLogP0.49
TPSA102.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole?
The IUPAC name of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole (CID 158995551) is 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole.
What is the SMILES notation for 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole?
The canonical SMILES for 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole is Cc1ncc(CO)c(CO)c1O.c1c[nH]cn1.
What is the InChIKey of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole?
The InChIKey is JQRSVQWCCCMVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3.C3H4N2/c1-5-8(12)7(4-11)6(3-10)2-9-5;1-2-5-3-4-1/h2,10-12H,3-4H2,1H3;1-3H,(H,4,5).
What are the key properties of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole?
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole has a molecular weight of 237.26 g/mol, XLogP of 0.49, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole is sourced from PubChem (CID 158995551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).