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

C16H21ClN2O5 — CID 171380537

IUPAC4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
SMILESCc1ncc(CO)c(COCc2c(CO)cnc(C)c2O)c1O.Cl
InChIInChI=1S/C16H20N2O5.ClH/c1-9-15(21)13(11(5-19)3-17-9)7-23-8-14-12(6-20)4-18-10(2)16(14)22;/h3-4,19-22H,5-8H2,1-2H3;1H
InChIKeyMPSLRUCXXGVDCE-UHFFFAOYSA-N
MW356.81 g/mol
LogP1.63
Rot. Bonds6

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

4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride (PubChem CID 171380537) has the molecular formula C16H21ClN2O5 and a molecular weight of 356.81 g/mol. Its IUPAC name is 4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
PubChem CID171380537
Molecular FormulaC16H21ClN2O5
Molecular Weight356.81 g/mol
Exact Mass356.11
IUPAC Name4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
SMILESCc1ncc(CO)c(COCc2c(CO)cnc(C)c2O)c1O.Cl
InChIInChI=1S/C16H20N2O5.ClH/c1-9-15(21)13(11(5-19)3-17-9)7-23-8-14-12(6-20)4-18-10(2)16(14)22;/h3-4,19-22H,5-8H2,1-2H3;1H
InChIKeyMPSLRUCXXGVDCE-UHFFFAOYSA-N
XLogP1.63
TPSA115.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride with MolForge

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Related Compounds

4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
CID 68776255
5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol
CID 116686483
ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol
CID 144604155
[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylimino-iminoazanium
CID 6334276
4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 54137000
4-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1-sulfanylbutan-2-one
CID 58139381
4-[(1S)-1-amino-3-fluoropropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171227493
[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]thiourea
CID 50915210
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hexanedioic acid
CID 175280730
2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850733
bis[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methoxymethoxy]-oxophosphanium
CID 69100000
4-[[2-aminoethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 57132487

Frequently Asked Questions

What is the IUPAC name of 4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The IUPAC name of 4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride (CID 171380537) is 4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The canonical SMILES for 4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride is Cc1ncc(CO)c(COCc2c(CO)cnc(C)c2O)c1O.Cl.
What is the InChIKey of 4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The InChIKey is MPSLRUCXXGVDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5.ClH/c1-9-15(21)13(11(5-19)3-17-9)7-23-8-14-12(6-20)4-18-10(2)16(14)22;/h3-4,19-22H,5-8H2,1-2H3;1H.
What are the key properties of 4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride has a molecular weight of 356.81 g/mol, XLogP of 1.63, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride is sourced from PubChem (CID 171380537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).