2-but-3-ynoxypyridine-3-carboxylic acid

C10H9NO3 — CID 106794654

IUPAC2-but-3-ynoxypyridine-3-carboxylic acid
SMILESC#CCCOc1ncccc1C(=O)O
InChIInChI=1S/C10H9NO3/c1-2-3-7-14-9-8(10(12)13)5-4-6-11-9/h1,4-6H,3,7H2,(H,12,13)
InChIKeyGNCIPXSCASIASK-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.18
Rot. Bonds4

About 2-but-3-ynoxypyridine-3-carboxylic acid

2-but-3-ynoxypyridine-3-carboxylic acid (PubChem CID 106794654) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-but-3-ynoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-but-3-ynoxypyridine-3-carboxylic acid
PubChem CID106794654
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-but-3-ynoxypyridine-3-carboxylic acid
SMILESC#CCCOc1ncccc1C(=O)O
InChIInChI=1S/C10H9NO3/c1-2-3-7-14-9-8(10(12)13)5-4-6-11-9/h1,4-6H,3,7H2,(H,12,13)
InChIKeyGNCIPXSCASIASK-UHFFFAOYSA-N
XLogP1.18
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxypyridine-3-carboxylic acid
CID 43128784
2-(2-oxopropoxy)pyridine-3-carboxylic acid
CID 89326483
2-but-3-ynylsulfanylpyridine-3-carboxylic acid
CID 24691069
2-(4-oxo-4-phenylbutoxy)pyridine-3-carboxylic acid
CID 143555857
but-3-ynyl 2-chloropyridine-3-carboxylate
CID 176902893
2-(2-aminopropoxy)pyridine-3-carboxylic acid
CID 117096540
2-but-2-enoxypyridine-3-carboxylic acid
CID 76938057
2-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctoxy]pyridine-3-carboxylic acid
CID 176683313
3-(but-3-ynoxymethyl)pyridine-2-carboxylic acid
CID 106795235
2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid
CID 117096547
2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid
CID 63614574
2-but-3-ynoxypyrimidine-4-carboxylic acid
CID 107555077

Frequently Asked Questions

What is the IUPAC name of 2-but-3-ynoxypyridine-3-carboxylic acid?
The IUPAC name of 2-but-3-ynoxypyridine-3-carboxylic acid (CID 106794654) is 2-but-3-ynoxypyridine-3-carboxylic acid.
What is the SMILES notation for 2-but-3-ynoxypyridine-3-carboxylic acid?
The canonical SMILES for 2-but-3-ynoxypyridine-3-carboxylic acid is C#CCCOc1ncccc1C(=O)O.
What is the InChIKey of 2-but-3-ynoxypyridine-3-carboxylic acid?
The InChIKey is GNCIPXSCASIASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-2-3-7-14-9-8(10(12)13)5-4-6-11-9/h1,4-6H,3,7H2,(H,12,13).
What are the key properties of 2-but-3-ynoxypyridine-3-carboxylic acid?
2-but-3-ynoxypyridine-3-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-ynoxypyridine-3-carboxylic acid is sourced from PubChem (CID 106794654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).