6-(1-ethynylcyclopropyl)oxypyridine-2-carboxylic acid

C11H9NO3 — CID 164660754

IUPAC6-(1-ethynylcyclopropyl)oxypyridine-2-carboxylic acid
SMILESC#CC1(Oc2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C11H9NO3/c1-2-11(6-7-11)15-9-5-3-4-8(12-9)10(13)14/h1,3-5H,6-7H2,(H,13,14)
InChIKeyJJOBKKYYEAMSAD-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.32
Rot. Bonds3

About 6-(1-ethynylcyclopropyl)oxypyridine-2-carboxylic acid

6-(1-ethynylcyclopropyl)oxypyridine-2-carboxylic acid (PubChem CID 164660754) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 6-(1-ethynylcyclopropyl)oxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1-ethynylcyclopropyl)oxypyridine-2-carboxylic acid
PubChem CID164660754
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name6-(1-ethynylcyclopropyl)oxypyridine-2-carboxylic acid
SMILESC#CC1(Oc2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C11H9NO3/c1-2-11(6-7-11)15-9-5-3-4-8(12-9)10(13)14/h1,3-5H,6-7H2,(H,13,14)
InChIKeyJJOBKKYYEAMSAD-UHFFFAOYSA-N
XLogP1.32
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropyloxypyridine-2-carboxylic acid
CID 146463026
6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylic acid
CID 114340733
6-(trideuteriomethoxy)pyridine-2-carboxylic acid
CID 155291992
CID 91986542
CID 91986542
6-(2,2-difluorocyclopropyl)pyridine-2-carboxylic acid
CID 171477788
6-(2,6-dimethoxyphenoxy)pyridine-2-carboxylic acid
CID 62255155
6-(2-aminopropoxy)pyridine-2-carboxylic acid
CID 154848823
6-(2-phenylethoxy)pyridine-2-carboxylic acid
CID 115001122
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid
CID 66231549
CID 175714264
CID 175714264
6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
CID 55066392

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethynylcyclopropyl)oxypyridine-2-carboxylic acid?
The IUPAC name of 6-(1-ethynylcyclopropyl)oxypyridine-2-carboxylic acid (CID 164660754) is 6-(1-ethynylcyclopropyl)oxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-(1-ethynylcyclopropyl)oxypyridine-2-carboxylic acid?
The canonical SMILES for 6-(1-ethynylcyclopropyl)oxypyridine-2-carboxylic acid is C#CC1(Oc2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-(1-ethynylcyclopropyl)oxypyridine-2-carboxylic acid?
The InChIKey is JJOBKKYYEAMSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-2-11(6-7-11)15-9-5-3-4-8(12-9)10(13)14/h1,3-5H,6-7H2,(H,13,14).
What are the key properties of 6-(1-ethynylcyclopropyl)oxypyridine-2-carboxylic acid?
6-(1-ethynylcyclopropyl)oxypyridine-2-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethynylcyclopropyl)oxypyridine-2-carboxylic acid is sourced from PubChem (CID 164660754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).