5-(hydroxymethyl)-4-(1-hydroxynonadecyl)-2-methylpyridin-3-ol

C26H47NO3 — CID 175117629

IUPAC5-(hydroxymethyl)-4-(1-hydroxynonadecyl)-2-methylpyridin-3-ol
SMILESCCCCCCCCCCCCCCCCCCC(O)c1c(CO)cnc(C)c1O
InChIInChI=1S/C26H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(29)25-23(21-28)20-27-22(2)26(25)30/h20,24,28-30H,3-19,21H2,1-2H3
InChIKeyFLAFCRJJRMSOGQ-UHFFFAOYSA-N
MW421.67 g/mol
LogP7.27
Rot. Bonds19

About 5-(hydroxymethyl)-4-(1-hydroxynonadecyl)-2-methylpyridin-3-ol

5-(hydroxymethyl)-4-(1-hydroxynonadecyl)-2-methylpyridin-3-ol (PubChem CID 175117629) has the molecular formula C26H47NO3 and a molecular weight of 421.67 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-(1-hydroxynonadecyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-(1-hydroxynonadecyl)-2-methylpyridin-3-ol
PubChem CID175117629
Molecular FormulaC26H47NO3
Molecular Weight421.67 g/mol
Exact Mass421.36
IUPAC Name5-(hydroxymethyl)-4-(1-hydroxynonadecyl)-2-methylpyridin-3-ol
SMILESCCCCCCCCCCCCCCCCCCC(O)c1c(CO)cnc(C)c1O
InChIInChI=1S/C26H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(29)25-23(21-28)20-27-22(2)26(25)30/h20,24,28-30H,3-19,21H2,1-2H3
InChIKeyFLAFCRJJRMSOGQ-UHFFFAOYSA-N
XLogP7.27
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.67
LogP ≤ 57.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[hydroxy(hydroxysulfanyl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 130284147
5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylpentyl]pyridin-3-ol;dihydrochloride
CID 171309268
ethyl (3S)-3-amino-2-fluoro-3-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]propanoate
CID 171249044
4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171207895
hexadecanoic acid;3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde
CID 18698996
1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol
CID 65426941
1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 171291928
1-cyclopenta-1,3-dien-1-yltridecan-1-ol
CID 23569005
1-(4-methyl-1,3-thiazol-5-yl)nonan-1-ol
CID 105085734
1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol
CID 105084964
1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol
CID 106879533

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-(1-hydroxynonadecyl)-2-methylpyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-4-(1-hydroxynonadecyl)-2-methylpyridin-3-ol (CID 175117629) is 5-(hydroxymethyl)-4-(1-hydroxynonadecyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-4-(1-hydroxynonadecyl)-2-methylpyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-4-(1-hydroxynonadecyl)-2-methylpyridin-3-ol is CCCCCCCCCCCCCCCCCCC(O)c1c(CO)cnc(C)c1O.
What is the InChIKey of 5-(hydroxymethyl)-4-(1-hydroxynonadecyl)-2-methylpyridin-3-ol?
The InChIKey is FLAFCRJJRMSOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(29)25-23(21-28)20-27-22(2)26(25)30/h20,24,28-30H,3-19,21H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-4-(1-hydroxynonadecyl)-2-methylpyridin-3-ol?
5-(hydroxymethyl)-4-(1-hydroxynonadecyl)-2-methylpyridin-3-ol has a molecular weight of 421.67 g/mol, XLogP of 7.27, 19 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-(1-hydroxynonadecyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 175117629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).