4-but-3-yn-2-yloxypyridine-3-carboxylic acid

C10H9NO3 — CID 106794606

IUPAC4-but-3-yn-2-yloxypyridine-3-carboxylic acid
SMILESC#CC(C)Oc1ccncc1C(=O)O
InChIInChI=1S/C10H9NO3/c1-3-7(2)14-9-4-5-11-6-8(9)10(12)13/h1,4-7H,2H3,(H,12,13)
InChIKeyBLHXRFFRCAXCQA-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.18
Rot. Bonds3

About 4-but-3-yn-2-yloxypyridine-3-carboxylic acid

4-but-3-yn-2-yloxypyridine-3-carboxylic acid (PubChem CID 106794606) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-but-3-yn-2-yloxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-but-3-yn-2-yloxypyridine-3-carboxylic acid
PubChem CID106794606
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name4-but-3-yn-2-yloxypyridine-3-carboxylic acid
SMILESC#CC(C)Oc1ccncc1C(=O)O
InChIInChI=1S/C10H9NO3/c1-3-7(2)14-9-4-5-11-6-8(9)10(12)13/h1,4-7H,2H3,(H,12,13)
InChIKeyBLHXRFFRCAXCQA-UHFFFAOYSA-N
XLogP1.18
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-but-3-yn-2-yloxy-4-chlorobenzoic acid
CID 106795143
methyl 4-propan-2-yloxypyridine-3-carboxylate
CID 132587581
2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one
CID 84676126
4-(4-methylsulfanylphenoxy)pyridine-3-carboxylic acid
CID 81226086
4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid
CID 81228623
4-[3-(dimethylamino)propoxy]pyridine-3-carboxylic acid
CID 81225280
4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid
CID 102383084
3-(2-fluoropropoxy)pyridine-4-carboxylic acid
CID 84668656
4-octoxypyridine-3-carboxylic acid
CID 81226157
4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 81225049
4-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 81229679
pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739

Frequently Asked Questions

What is the IUPAC name of 4-but-3-yn-2-yloxypyridine-3-carboxylic acid?
The IUPAC name of 4-but-3-yn-2-yloxypyridine-3-carboxylic acid (CID 106794606) is 4-but-3-yn-2-yloxypyridine-3-carboxylic acid.
What is the SMILES notation for 4-but-3-yn-2-yloxypyridine-3-carboxylic acid?
The canonical SMILES for 4-but-3-yn-2-yloxypyridine-3-carboxylic acid is C#CC(C)Oc1ccncc1C(=O)O.
What is the InChIKey of 4-but-3-yn-2-yloxypyridine-3-carboxylic acid?
The InChIKey is BLHXRFFRCAXCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-3-7(2)14-9-4-5-11-6-8(9)10(12)13/h1,4-7H,2H3,(H,12,13).
What are the key properties of 4-but-3-yn-2-yloxypyridine-3-carboxylic acid?
4-but-3-yn-2-yloxypyridine-3-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-yn-2-yloxypyridine-3-carboxylic acid is sourced from PubChem (CID 106794606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).