3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid

C15H19NO5 — CID 44820468

IUPAC3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid
SMILESC=CC(=O)OCCCCCCOc1cccnc1C(=O)O
InChIInChI=1S/C15H19NO5/c1-2-13(17)21-11-6-4-3-5-10-20-12-8-7-9-16-14(12)15(18)19/h2,7-9H,1,3-6,10-11H2,(H,18,19)
InChIKeyFVHBNBLLNWZHBJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.45
Rot. Bonds10

About 3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid

3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid (PubChem CID 44820468) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid
PubChem CID44820468
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid
SMILESC=CC(=O)OCCCCCCOc1cccnc1C(=O)O
InChIInChI=1S/C15H19NO5/c1-2-13(17)21-11-6-4-3-5-10-20-12-8-7-9-16-14(12)15(18)19/h2,7-9H,1,3-6,10-11H2,(H,18,19)
InChIKeyFVHBNBLLNWZHBJ-UHFFFAOYSA-N
XLogP2.45
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminopropoxy)pyridine-2-carboxylic acid
CID 63654419
6-(2-benzoylphenoxy)hexyl prop-2-enoate
CID 172762769
3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid
CID 140907193
3,4,5-tris(6-prop-2-enoyloxyhexoxy)benzoic acid
CID 90240498
12-(2-phenyldiazenylphenoxy)dodecyl prop-2-enoate
CID 141194405
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 18942550
3-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 101392903
sodium 2-(6-prop-2-enoyloxyhexoxy)benzenesulfonate
CID 159239707
3-(2-acetylphenoxy)propyl prop-2-enoate
CID 142301416

Frequently Asked Questions

What is the IUPAC name of 3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid (CID 44820468) is 3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid is C=CC(=O)OCCCCCCOc1cccnc1C(=O)O.
What is the InChIKey of 3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid?
The InChIKey is FVHBNBLLNWZHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-2-13(17)21-11-6-4-3-5-10-20-12-8-7-9-16-14(12)15(18)19/h2,7-9H,1,3-6,10-11H2,(H,18,19).
What are the key properties of 3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid?
3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 44820468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).