2-but-3-enoxypyridine-3-carboxylic acid

C10H11NO3 — CID 43128784

IUPAC2-but-3-enoxypyridine-3-carboxylic acid
SMILESC=CCCOc1ncccc1C(=O)O
InChIInChI=1S/C10H11NO3/c1-2-3-7-14-9-8(10(12)13)5-4-6-11-9/h2,4-6H,1,3,7H2,(H,12,13)
InChIKeyFVHCZOXEBVVPIP-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.73
Rot. Bonds5

About 2-but-3-enoxypyridine-3-carboxylic acid

2-but-3-enoxypyridine-3-carboxylic acid (PubChem CID 43128784) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-but-3-enoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-but-3-enoxypyridine-3-carboxylic acid
PubChem CID43128784
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-but-3-enoxypyridine-3-carboxylic acid
SMILESC=CCCOc1ncccc1C(=O)O
InChIInChI=1S/C10H11NO3/c1-2-3-7-14-9-8(10(12)13)5-4-6-11-9/h2,4-6H,1,3,7H2,(H,12,13)
InChIKeyFVHCZOXEBVVPIP-UHFFFAOYSA-N
XLogP1.73
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-ynoxypyridine-3-carboxylic acid
CID 106794654
2-(2-oxopropoxy)pyridine-3-carboxylic acid
CID 89326483
2-but-2-enoxypyridine-3-carboxylic acid
CID 76938057
2-(4-oxo-4-phenylbutoxy)pyridine-3-carboxylic acid
CID 143555857
(2-but-3-enoxy-3-pyridinyl)methanamine
CID 62289505
2-(2-aminopropoxy)pyridine-3-carboxylic acid
CID 117096540
4-but-3-enoxyquinoline-3-carboxylic acid
CID 61341893
2-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctoxy]pyridine-3-carboxylic acid
CID 176683313
2-but-3-enoxypyrimidine-4-carboxylic acid
CID 107554637
2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 141264679
4-but-3-enoxy-2-fluorobenzoic acid
CID 107675377
3-prop-2-enoxypyridazine-4-carboxylic acid
CID 80517301

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxypyridine-3-carboxylic acid?
The IUPAC name of 2-but-3-enoxypyridine-3-carboxylic acid (CID 43128784) is 2-but-3-enoxypyridine-3-carboxylic acid.
What is the SMILES notation for 2-but-3-enoxypyridine-3-carboxylic acid?
The canonical SMILES for 2-but-3-enoxypyridine-3-carboxylic acid is C=CCCOc1ncccc1C(=O)O.
What is the InChIKey of 2-but-3-enoxypyridine-3-carboxylic acid?
The InChIKey is FVHCZOXEBVVPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-3-7-14-9-8(10(12)13)5-4-6-11-9/h2,4-6H,1,3,7H2,(H,12,13).
What are the key properties of 2-but-3-enoxypyridine-3-carboxylic acid?
2-but-3-enoxypyridine-3-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxypyridine-3-carboxylic acid is sourced from PubChem (CID 43128784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).