14-[(4-bromo-2-pyridinyl)oxy]tetradecanoic acid

C19H30BrNO3 — CID 168945983

IUPAC14-[(4-bromo-2-pyridinyl)oxy]tetradecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCOc1cc(Br)ccn1
InChIInChI=1S/C19H30BrNO3/c20-17-13-14-21-18(16-17)24-15-11-9-7-5-3-1-2-4-6-8-10-12-19(22)23/h13-14,16H,1-12,15H2,(H,22,23)
InChIKeyQOGQPQQOQSADCG-UHFFFAOYSA-N
MW400.36 g/mol
LogP5.99
Rot. Bonds15

About 14-[(4-bromo-2-pyridinyl)oxy]tetradecanoic acid

14-[(4-bromo-2-pyridinyl)oxy]tetradecanoic acid (PubChem CID 168945983) has the molecular formula C19H30BrNO3 and a molecular weight of 400.36 g/mol. Its IUPAC name is 14-[(4-bromo-2-pyridinyl)oxy]tetradecanoic acid.

Molecular Properties

Compound Name14-[(4-bromo-2-pyridinyl)oxy]tetradecanoic acid
PubChem CID168945983
Molecular FormulaC19H30BrNO3
Molecular Weight400.36 g/mol
Exact Mass399.14
IUPAC Name14-[(4-bromo-2-pyridinyl)oxy]tetradecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCOc1cc(Br)ccn1
InChIInChI=1S/C19H30BrNO3/c20-17-13-14-21-18(16-17)24-15-11-9-7-5-3-1-2-4-6-8-10-12-19(22)23/h13-14,16H,1-12,15H2,(H,22,23)
InChIKeyQOGQPQQOQSADCG-UHFFFAOYSA-N
XLogP5.99
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.36
LogP ≤ 55.99
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-bromo-2-(2-methylsulfanylethoxy)pyridine
CID 170784646
4-bromo-2-ethoxypyridine
CID 2762557
7-(2-bromophenoxy)heptanoic acid
CID 39423766
9-phenoxynonanoic acid
CID 15887638
9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798
11-(3,5-dihydroxyphenoxy)undecanoic acid
CID 42626374
5-[(4-bromophenyl)methoxy]pentanoic acid
CID 82827863
2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid
CID 168916647
6-[2-chloro-4-(3,4-dichlorophenyl)phenoxy]hexanoic acid
CID 69049805
2-nonoxypyridine-4-carboxamide
CID 24860246
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
6-(3,5-diphenylphenoxy)hexanoic acid
CID 18987245

Frequently Asked Questions

What is the IUPAC name of 14-[(4-bromo-2-pyridinyl)oxy]tetradecanoic acid?
The IUPAC name of 14-[(4-bromo-2-pyridinyl)oxy]tetradecanoic acid (CID 168945983) is 14-[(4-bromo-2-pyridinyl)oxy]tetradecanoic acid.
What is the SMILES notation for 14-[(4-bromo-2-pyridinyl)oxy]tetradecanoic acid?
The canonical SMILES for 14-[(4-bromo-2-pyridinyl)oxy]tetradecanoic acid is O=C(O)CCCCCCCCCCCCCOc1cc(Br)ccn1.
What is the InChIKey of 14-[(4-bromo-2-pyridinyl)oxy]tetradecanoic acid?
The InChIKey is QOGQPQQOQSADCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BrNO3/c20-17-13-14-21-18(16-17)24-15-11-9-7-5-3-1-2-4-6-8-10-12-19(22)23/h13-14,16H,1-12,15H2,(H,22,23).
What are the key properties of 14-[(4-bromo-2-pyridinyl)oxy]tetradecanoic acid?
14-[(4-bromo-2-pyridinyl)oxy]tetradecanoic acid has a molecular weight of 400.36 g/mol, XLogP of 5.99, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[(4-bromo-2-pyridinyl)oxy]tetradecanoic acid is sourced from PubChem (CID 168945983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).