5-(9-prop-2-enoyloxynonoxy)pyridine-2-carboxylic acid

C18H25NO5 — CID 59683870

IUPAC5-(9-prop-2-enoyloxynonoxy)pyridine-2-carboxylic acid
SMILESC=CC(=O)OCCCCCCCCCOc1ccc(C(=O)O)nc1
InChIInChI=1S/C18H25NO5/c1-2-17(20)24-13-9-7-5-3-4-6-8-12-23-15-10-11-16(18(21)22)19-14-15/h2,10-11,14H,1,3-9,12-13H2,(H,21,22)
InChIKeyXWXOAXILVQBRKC-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.62
Rot. Bonds13

About 5-(9-prop-2-enoyloxynonoxy)pyridine-2-carboxylic acid

5-(9-prop-2-enoyloxynonoxy)pyridine-2-carboxylic acid (PubChem CID 59683870) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 5-(9-prop-2-enoyloxynonoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(9-prop-2-enoyloxynonoxy)pyridine-2-carboxylic acid
PubChem CID59683870
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name5-(9-prop-2-enoyloxynonoxy)pyridine-2-carboxylic acid
SMILESC=CC(=O)OCCCCCCCCCOc1ccc(C(=O)O)nc1
InChIInChI=1S/C18H25NO5/c1-2-17(20)24-13-9-7-5-3-4-6-8-12-23-15-10-11-16(18(21)22)19-14-15/h2,10-11,14H,1,3-9,12-13H2,(H,21,22)
InChIKeyXWXOAXILVQBRKC-UHFFFAOYSA-N
XLogP3.62
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.62
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

4-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 18942550
7-(2-phenylpyrimidin-5-yl)oxyheptyl prop-2-enoate
CID 140977152
5-(3-phenoxypropoxy)pyridine-2-carboxylic acid
CID 79793898
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713
12-(4-formylphenoxy)dodecyl prop-2-enoate
CID 174341299
3-[4-(12-prop-2-enoyloxydodecoxy)phenyl]prop-2-enoic acid
CID 67554557
3-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 101392903
4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoic acid
CID 23516352
5-(2-phenoxyethoxy)pyridine-2-carboxylic acid
CID 79794959
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
8-(4-benzoylperoxycarbonylphenoxy)octyl prop-2-enoate
CID 150942028
11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140

Frequently Asked Questions

What is the IUPAC name of 5-(9-prop-2-enoyloxynonoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(9-prop-2-enoyloxynonoxy)pyridine-2-carboxylic acid (CID 59683870) is 5-(9-prop-2-enoyloxynonoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(9-prop-2-enoyloxynonoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(9-prop-2-enoyloxynonoxy)pyridine-2-carboxylic acid is C=CC(=O)OCCCCCCCCCOc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(9-prop-2-enoyloxynonoxy)pyridine-2-carboxylic acid?
The InChIKey is XWXOAXILVQBRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-2-17(20)24-13-9-7-5-3-4-6-8-12-23-15-10-11-16(18(21)22)19-14-15/h2,10-11,14H,1,3-9,12-13H2,(H,21,22).
What are the key properties of 5-(9-prop-2-enoyloxynonoxy)pyridine-2-carboxylic acid?
5-(9-prop-2-enoyloxynonoxy)pyridine-2-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 3.62, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-prop-2-enoyloxynonoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 59683870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).