5-(hydroxymethyl)-4-[hydroxy(phenoxy)methyl]-2-methylpyridin-3-ol;hydrochloride

C14H16ClNO4 — CID 175105023

IUPAC5-(hydroxymethyl)-4-[hydroxy(phenoxy)methyl]-2-methylpyridin-3-ol;hydrochloride
SMILESCc1ncc(CO)c(C(O)Oc2ccccc2)c1O.Cl
InChIInChI=1S/C14H15NO4.ClH/c1-9-13(17)12(10(8-16)7-15-9)14(18)19-11-5-3-2-4-6-11;/h2-7,14,16-18H,8H2,1H3;1H
InChIKeyUPMNNGNEJJYLGQ-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.08
Rot. Bonds4

About 5-(hydroxymethyl)-4-[hydroxy(phenoxy)methyl]-2-methylpyridin-3-ol;hydrochloride

5-(hydroxymethyl)-4-[hydroxy(phenoxy)methyl]-2-methylpyridin-3-ol;hydrochloride (PubChem CID 175105023) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-[hydroxy(phenoxy)methyl]-2-methylpyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-[hydroxy(phenoxy)methyl]-2-methylpyridin-3-ol;hydrochloride
PubChem CID175105023
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name5-(hydroxymethyl)-4-[hydroxy(phenoxy)methyl]-2-methylpyridin-3-ol;hydrochloride
SMILESCc1ncc(CO)c(C(O)Oc2ccccc2)c1O.Cl
InChIInChI=1S/C14H15NO4.ClH/c1-9-13(17)12(10(8-16)7-15-9)14(18)19-11-5-3-2-4-6-11;/h2-7,14,16-18H,8H2,1H3;1H
InChIKeyUPMNNGNEJJYLGQ-UHFFFAOYSA-N
XLogP2.08
TPSA82.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-[hydroxy(phenoxy)methyl]-2-methylpyridin-3-ol;hydrochloride?
The IUPAC name of 5-(hydroxymethyl)-4-[hydroxy(phenoxy)methyl]-2-methylpyridin-3-ol;hydrochloride (CID 175105023) is 5-(hydroxymethyl)-4-[hydroxy(phenoxy)methyl]-2-methylpyridin-3-ol;hydrochloride.
What is the SMILES notation for 5-(hydroxymethyl)-4-[hydroxy(phenoxy)methyl]-2-methylpyridin-3-ol;hydrochloride?
The canonical SMILES for 5-(hydroxymethyl)-4-[hydroxy(phenoxy)methyl]-2-methylpyridin-3-ol;hydrochloride is Cc1ncc(CO)c(C(O)Oc2ccccc2)c1O.Cl.
What is the InChIKey of 5-(hydroxymethyl)-4-[hydroxy(phenoxy)methyl]-2-methylpyridin-3-ol;hydrochloride?
The InChIKey is UPMNNGNEJJYLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4.ClH/c1-9-13(17)12(10(8-16)7-15-9)14(18)19-11-5-3-2-4-6-11;/h2-7,14,16-18H,8H2,1H3;1H.
What are the key properties of 5-(hydroxymethyl)-4-[hydroxy(phenoxy)methyl]-2-methylpyridin-3-ol;hydrochloride?
5-(hydroxymethyl)-4-[hydroxy(phenoxy)methyl]-2-methylpyridin-3-ol;hydrochloride has a molecular weight of 297.74 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-[hydroxy(phenoxy)methyl]-2-methylpyridin-3-ol;hydrochloride is sourced from PubChem (CID 175105023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).