5-pyridin-2-ylpent-4-ynoic acid

C10H9NO2 — CID 66598382

IUPAC5-pyridin-2-ylpent-4-ynoic acid
SMILESO=C(O)CCC#Cc1ccccn1
InChIInChI=1S/C10H9NO2/c12-10(13)7-2-1-5-9-6-3-4-8-11-9/h3-4,6,8H,2,7H2,(H,12,13)
InChIKeySHOSENGPSODWRU-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.30
Rot. Bonds2

About 5-pyridin-2-ylpent-4-ynoic acid

5-pyridin-2-ylpent-4-ynoic acid (PubChem CID 66598382) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-pyridin-2-ylpent-4-ynoic acid.

Molecular Properties

Compound Name5-pyridin-2-ylpent-4-ynoic acid
PubChem CID66598382
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name5-pyridin-2-ylpent-4-ynoic acid
SMILESO=C(O)CCC#Cc1ccccn1
InChIInChI=1S/C10H9NO2/c12-10(13)7-2-1-5-9-6-3-4-8-11-9/h3-4,6,8H,2,7H2,(H,12,13)
InChIKeySHOSENGPSODWRU-UHFFFAOYSA-N
XLogP1.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-phenyl-5-pyridin-2-ylpent-4-ynamide
CID 11579821
2-(3-fluoroprop-1-ynyl)pyridine
CID 123437689
4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride
CID 69041550
2-oct-1-ynylpyridine
CID 12931148
2-(4-pyridin-2-ylbut-3-ynyl)-1,3-oxazole
CID 69400089
2-(2-pyridin-2-ylethynyl)pyridine-4-carboxylic acid
CID 118478791
3-hydroxy-3-phenyl-N-(3-pyridin-2-ylprop-2-ynyl)butanamide
CID 91660263
(2S)-2-[[(1R)-1-carboxy-3-phenylpropyl]amino]-5-pyridin-2-ylpent-4-ynoic acid
CID 59100938
3-pyridin-2-ylprop-2-ynyl methanesulfonate
CID 87880685
2-(3-pyridin-2-ylprop-2-ynyl)isoindole-1,3-dione
CID 177410226
(2-methyl-4-pyridin-2-ylbut-3-yn-2-yl) acetate
CID 154719080
5-(2-pyridin-2-ylethynyl)thiophene-2-carboxylic acid
CID 59463148

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-ylpent-4-ynoic acid?
The IUPAC name of 5-pyridin-2-ylpent-4-ynoic acid (CID 66598382) is 5-pyridin-2-ylpent-4-ynoic acid.
What is the SMILES notation for 5-pyridin-2-ylpent-4-ynoic acid?
The canonical SMILES for 5-pyridin-2-ylpent-4-ynoic acid is O=C(O)CCC#Cc1ccccn1.
What is the InChIKey of 5-pyridin-2-ylpent-4-ynoic acid?
The InChIKey is SHOSENGPSODWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10(13)7-2-1-5-9-6-3-4-8-11-9/h3-4,6,8H,2,7H2,(H,12,13).
What are the key properties of 5-pyridin-2-ylpent-4-ynoic acid?
5-pyridin-2-ylpent-4-ynoic acid has a molecular weight of 175.19 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-ylpent-4-ynoic acid is sourced from PubChem (CID 66598382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).