2-(2-cyclopropylethynyl)pyridine-3-carboxylic acid

C11H9NO2 — CID 122242588

IUPAC2-(2-cyclopropylethynyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C#CC1CC1
InChIInChI=1S/C11H9NO2/c13-11(14)9-2-1-7-12-10(9)6-5-8-3-4-8/h1-2,7-8H,3-4H2,(H,13,14)
InChIKeyVCLBSCZFZMORJB-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.54
Rot. Bonds1

About 2-(2-cyclopropylethynyl)pyridine-3-carboxylic acid

2-(2-cyclopropylethynyl)pyridine-3-carboxylic acid (PubChem CID 122242588) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-(2-cyclopropylethynyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclopropylethynyl)pyridine-3-carboxylic acid
PubChem CID122242588
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name2-(2-cyclopropylethynyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C#CC1CC1
InChIInChI=1S/C11H9NO2/c13-11(14)9-2-1-7-12-10(9)6-5-8-3-4-8/h1-2,7-8H,3-4H2,(H,13,14)
InChIKeyVCLBSCZFZMORJB-UHFFFAOYSA-N
XLogP1.54
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.54
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

[2-(2-cyclopropylethynyl)-3-pyridinyl]methanamine
CID 122242222
2-cyclopentylpyridine-3-carboxylic acid
CID 83915500
pyridine-2,3-dicarboxylic acid
CID 1066
2-[(2S)-azetidin-2-yl]pyridine-3-carboxylic acid
CID 55275995
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
CID 119078369
CID 119078369
(3-carboxy-2-pyridinyl)astatine
CID 174507208
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid
CID 63654626
2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethynyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-cyclopropylethynyl)pyridine-3-carboxylic acid (CID 122242588) is 2-(2-cyclopropylethynyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-cyclopropylethynyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-cyclopropylethynyl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1C#CC1CC1.
What is the InChIKey of 2-(2-cyclopropylethynyl)pyridine-3-carboxylic acid?
The InChIKey is VCLBSCZFZMORJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-11(14)9-2-1-7-12-10(9)6-5-8-3-4-8/h1-2,7-8H,3-4H2,(H,13,14).
What are the key properties of 2-(2-cyclopropylethynyl)pyridine-3-carboxylic acid?
2-(2-cyclopropylethynyl)pyridine-3-carboxylic acid has a molecular weight of 187.20 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethynyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 122242588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).