2-hydroxy-3-pyridin-4-ylpropanethial

C8H9NOS — CID 54087654

IUPAC2-hydroxy-3-pyridin-4-ylpropanethial
SMILESOC(C=S)Cc1ccncc1
InChIInChI=1S/C8H9NOS/c10-8(6-11)5-7-1-3-9-4-2-7/h1-4,6,8,10H,5H2
InChIKeyGUPWYPIAVLAZAP-UHFFFAOYSA-N
MW167.23 g/mol
LogP0.98
Rot. Bonds3

About 2-hydroxy-3-pyridin-4-ylpropanethial

2-hydroxy-3-pyridin-4-ylpropanethial (PubChem CID 54087654) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-hydroxy-3-pyridin-4-ylpropanethial.

Molecular Properties

Compound Name2-hydroxy-3-pyridin-4-ylpropanethial
PubChem CID54087654
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name2-hydroxy-3-pyridin-4-ylpropanethial
SMILESOC(C=S)Cc1ccncc1
InChIInChI=1S/C8H9NOS/c10-8(6-11)5-7-1-3-9-4-2-7/h1-4,6,8,10H,5H2
InChIKeyGUPWYPIAVLAZAP-UHFFFAOYSA-N
XLogP0.98
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
3-propyl-1-pyridin-4-ylhexan-2-ol
CID 82995140
(2S)-1,1,1-trifluoro-3-pyridin-4-ylpropan-2-ol
CID 96823406
4-hydroxy-5-pyridin-4-ylpent-1-en-3-one
CID 174254613
1-cyclobutyl-3-pyridin-4-ylpropan-2-ol
CID 65457180
3-methyl-1-pyridin-4-ylbutane-2,3-diol
CID 103448896
1-cyclopropyl-2-pyridin-4-ylethanol
CID 63352817
1-(4-fluorophenyl)-2-pyridin-4-ylethanol
CID 62553094
4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine
CID 12946959
1-(4-methyl-3-pyridinyl)-2-pyridin-4-ylethanol
CID 66273541
(2S)-2-amino-3-pyridin-4-ylpropanal
CID 22827621

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-pyridin-4-ylpropanethial?
The IUPAC name of 2-hydroxy-3-pyridin-4-ylpropanethial (CID 54087654) is 2-hydroxy-3-pyridin-4-ylpropanethial.
What is the SMILES notation for 2-hydroxy-3-pyridin-4-ylpropanethial?
The canonical SMILES for 2-hydroxy-3-pyridin-4-ylpropanethial is OC(C=S)Cc1ccncc1.
What is the InChIKey of 2-hydroxy-3-pyridin-4-ylpropanethial?
The InChIKey is GUPWYPIAVLAZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c10-8(6-11)5-7-1-3-9-4-2-7/h1-4,6,8,10H,5H2.
What are the key properties of 2-hydroxy-3-pyridin-4-ylpropanethial?
2-hydroxy-3-pyridin-4-ylpropanethial has a molecular weight of 167.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-pyridin-4-ylpropanethial is sourced from PubChem (CID 54087654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).