5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol

C10H11N3O2 — CID 135532669

IUPAC5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(-c2ncc[nH]2)c1O
InChIInChI=1S/C10H11N3O2/c1-6-9(15)8(7(5-14)4-13-6)10-11-2-3-12-10/h2-4,14-15H,5H2,1H3,(H,11,12)
InChIKeyQDSUBQFUHXJNOT-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.98
Rot. Bonds2

About 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol

5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol (PubChem CID 135532669) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol
PubChem CID135532669
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(-c2ncc[nH]2)c1O
InChIInChI=1S/C10H11N3O2/c1-6-9(15)8(7(5-14)4-13-6)10-11-2-3-12-10/h2-4,14-15H,5H2,1H3,(H,11,12)
InChIKeyQDSUBQFUHXJNOT-UHFFFAOYSA-N
XLogP0.98
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol (CID 135532669) is 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(-c2ncc[nH]2)c1O.
What is the InChIKey of 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol?
The InChIKey is QDSUBQFUHXJNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-6-9(15)8(7(5-14)4-13-6)10-11-2-3-12-10/h2-4,14-15H,5H2,1H3,(H,11,12).
What are the key properties of 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol?
5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol has a molecular weight of 205.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-(1H-imidazol-2-yl)-2-methylpyridin-3-ol is sourced from PubChem (CID 135532669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).