5-(3-hydroxyprop-1-ynyl)pyridine-2-carbaldehyde

C9H7NO2 — CID 169484844

IUPAC5-(3-hydroxyprop-1-ynyl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(C#CCO)cn1
InChIInChI=1S/C9H7NO2/c11-5-1-2-8-3-4-9(7-12)10-6-8/h3-4,6-7,11H,5H2
InChIKeyBXZXPICXIFDIQS-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.24
Rot. Bonds1

About 5-(3-hydroxyprop-1-ynyl)pyridine-2-carbaldehyde

5-(3-hydroxyprop-1-ynyl)pyridine-2-carbaldehyde (PubChem CID 169484844) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)pyridine-2-carbaldehyde
PubChem CID169484844
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name5-(3-hydroxyprop-1-ynyl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(C#CCO)cn1
InChIInChI=1S/C9H7NO2/c11-5-1-2-8-3-4-9(7-12)10-6-8/h3-4,6-7,11H,5H2
InChIKeyBXZXPICXIFDIQS-UHFFFAOYSA-N
XLogP0.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(6-formyl-3-pyridinyl)but-3-ynoate
CID 170469221
3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol
CID 169485289
3-pyrimidin-5-ylprop-2-yn-1-ol
CID 5303257
4-(3-hydroxyprop-1-ynyl)-2-methylbenzaldehyde
CID 169484946
3-[4-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]piperazin-1-yl]-2-(trifluoromethyl)benzaldehyde
CID 87581326
N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958260
N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958951
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide
CID 62958249
5-(3-hydroxyprop-1-ynyl)-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 63227424
N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 55152298
N-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 103103843
N-[2-(furan-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62959712

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)pyridine-2-carbaldehyde?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)pyridine-2-carbaldehyde (CID 169484844) is 5-(3-hydroxyprop-1-ynyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)pyridine-2-carbaldehyde is O=Cc1ccc(C#CCO)cn1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)pyridine-2-carbaldehyde?
The InChIKey is BXZXPICXIFDIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-5-1-2-8-3-4-9(7-12)10-6-8/h3-4,6-7,11H,5H2.
What are the key properties of 5-(3-hydroxyprop-1-ynyl)pyridine-2-carbaldehyde?
5-(3-hydroxyprop-1-ynyl)pyridine-2-carbaldehyde has a molecular weight of 161.16 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 169484844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).