3-hydroxy-5-(hydroxymethyl)-2-propylpyridine-4-carbaldehyde

C10H13NO3 — CID 150764325

IUPAC3-hydroxy-5-(hydroxymethyl)-2-propylpyridine-4-carbaldehyde
SMILESCCCc1ncc(CO)c(C=O)c1O
InChIInChI=1S/C10H13NO3/c1-2-3-9-10(14)8(6-13)7(5-12)4-11-9/h4,6,12,14H,2-3,5H2,1H3
InChIKeyJYMMMTDRGQDWDD-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.04
Rot. Bonds4

About 3-hydroxy-5-(hydroxymethyl)-2-propylpyridine-4-carbaldehyde

3-hydroxy-5-(hydroxymethyl)-2-propylpyridine-4-carbaldehyde (PubChem CID 150764325) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-hydroxy-5-(hydroxymethyl)-2-propylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-5-(hydroxymethyl)-2-propylpyridine-4-carbaldehyde
PubChem CID150764325
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-hydroxy-5-(hydroxymethyl)-2-propylpyridine-4-carbaldehyde
SMILESCCCc1ncc(CO)c(C=O)c1O
InChIInChI=1S/C10H13NO3/c1-2-3-9-10(14)8(6-13)7(5-12)4-11-9/h4,6,12,14H,2-3,5H2,1H3
InChIKeyJYMMMTDRGQDWDD-UHFFFAOYSA-N
XLogP1.04
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-2,5-bis(hydroxymethyl)pyridin-3-ol;hydrochloride
CID 71400939
hexadecanoic acid;3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde
CID 18698996
bis[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde
CID 172708958
3-hydroxybenzaldehyde;3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde
CID 159157322
5-(hydroxymethyl)-3-methoxy-2-methylpyridine-4-carbaldehyde
CID 23422601
1-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]hex-1-en-3-one
CID 164608540
[4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl] acetate
CID 11769724
3-amino-1-cyclohexyl-1-methylthiourea;3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride
CID 172847810
5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol
CID 169454499
2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde
CID 118826812
calcium (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl phosphate
CID 6453762
[2-(3-methylcyclohexyl)-4-propylpyrimidin-5-yl]methanol
CID 114205023

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(hydroxymethyl)-2-propylpyridine-4-carbaldehyde?
The IUPAC name of 3-hydroxy-5-(hydroxymethyl)-2-propylpyridine-4-carbaldehyde (CID 150764325) is 3-hydroxy-5-(hydroxymethyl)-2-propylpyridine-4-carbaldehyde.
What is the SMILES notation for 3-hydroxy-5-(hydroxymethyl)-2-propylpyridine-4-carbaldehyde?
The canonical SMILES for 3-hydroxy-5-(hydroxymethyl)-2-propylpyridine-4-carbaldehyde is CCCc1ncc(CO)c(C=O)c1O.
What is the InChIKey of 3-hydroxy-5-(hydroxymethyl)-2-propylpyridine-4-carbaldehyde?
The InChIKey is JYMMMTDRGQDWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-3-9-10(14)8(6-13)7(5-12)4-11-9/h4,6,12,14H,2-3,5H2,1H3.
What are the key properties of 3-hydroxy-5-(hydroxymethyl)-2-propylpyridine-4-carbaldehyde?
3-hydroxy-5-(hydroxymethyl)-2-propylpyridine-4-carbaldehyde has a molecular weight of 195.22 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(hydroxymethyl)-2-propylpyridine-4-carbaldehyde is sourced from PubChem (CID 150764325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).