4-decoxypyridine-2-carboxylic acid

C16H25NO3 — CID 152529644

IUPAC4-decoxypyridine-2-carboxylic acid
SMILESCCCCCCCCCCOc1ccnc(C(=O)O)c1
InChIInChI=1S/C16H25NO3/c1-2-3-4-5-6-7-8-9-12-20-14-10-11-17-15(13-14)16(18)19/h10-11,13H,2-9,12H2,1H3,(H,18,19)
InChIKeyYJGMDVWQGQIAOO-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.30
Rot. Bonds11

About 4-decoxypyridine-2-carboxylic acid

4-decoxypyridine-2-carboxylic acid (PubChem CID 152529644) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-decoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-decoxypyridine-2-carboxylic acid
PubChem CID152529644
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-decoxypyridine-2-carboxylic acid
SMILESCCCCCCCCCCOc1ccnc(C(=O)O)c1
InChIInChI=1S/C16H25NO3/c1-2-3-4-5-6-7-8-9-12-20-14-10-11-17-15(13-14)16(18)19/h10-11,13H,2-9,12H2,1H3,(H,18,19)
InChIKeyYJGMDVWQGQIAOO-UHFFFAOYSA-N
XLogP4.30
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid
CID 66234944
4-docosylpyridine-2-carboxylic acid
CID 174759337
4-[2-[di(propan-2-yl)amino]ethoxy]pyridine-2-carboxylic acid
CID 115505423
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-hexadecoxy-2-(4-hexadecoxy-2-pyridinyl)pyridine;ruthenium(2+);diisothiocyanate
CID 145025270
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-pentadecoxy-2-(4-pentadecoxy-2-pyridinyl)pyridine;ruthenium(2+);diisothiocyanate
CID 145025302
4-butan-2-yloxypyridine-2-carboxylic acid
CID 60903768
6-octadecoxynaphthalene-2-carboxylic acid
CID 71245003
4-decoxy-2-hexoxybenzoic acid
CID 141156533
5-hexoxy-2-hydroxybenzoic acid
CID 19036724
2-amino-5-heptoxybenzoic acid
CID 54888058
2,5-didodecoxybenzoic acid
CID 168826367
5-hexadecoxy-2-hydroxybenzoic acid
CID 21495003

Frequently Asked Questions

What is the IUPAC name of 4-decoxypyridine-2-carboxylic acid?
The IUPAC name of 4-decoxypyridine-2-carboxylic acid (CID 152529644) is 4-decoxypyridine-2-carboxylic acid.
What is the SMILES notation for 4-decoxypyridine-2-carboxylic acid?
The canonical SMILES for 4-decoxypyridine-2-carboxylic acid is CCCCCCCCCCOc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-decoxypyridine-2-carboxylic acid?
The InChIKey is YJGMDVWQGQIAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-3-4-5-6-7-8-9-12-20-14-10-11-17-15(13-14)16(18)19/h10-11,13H,2-9,12H2,1H3,(H,18,19).
What are the key properties of 4-decoxypyridine-2-carboxylic acid?
4-decoxypyridine-2-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 4.30, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decoxypyridine-2-carboxylic acid is sourced from PubChem (CID 152529644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).