6-pyridin-4-ylhexanoic acid

C11H15NO2 — CID 12904562

IUPAC6-pyridin-4-ylhexanoic acid
SMILESO=C(O)CCCCCc1ccncc1
InChIInChI=1S/C11H15NO2/c13-11(14)5-3-1-2-4-10-6-8-12-9-7-10/h6-9H,1-5H2,(H,13,14)
InChIKeyGJIMUROXBBUAQJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.27
Rot. Bonds6

About 6-pyridin-4-ylhexanoic acid

6-pyridin-4-ylhexanoic acid (PubChem CID 12904562) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-pyridin-4-ylhexanoic acid.

Molecular Properties

Compound Name6-pyridin-4-ylhexanoic acid
PubChem CID12904562
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name6-pyridin-4-ylhexanoic acid
SMILESO=C(O)CCCCCc1ccncc1
InChIInChI=1S/C11H15NO2/c13-11(14)5-3-1-2-4-10-6-8-12-9-7-10/h6-9H,1-5H2,(H,13,14)
InChIKeyGJIMUROXBBUAQJ-UHFFFAOYSA-N
XLogP2.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

15-phenylpentadecanoic acid
CID 2737151
5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 103239957
acetic acid;3-pyridin-4-ylpropanoic acid
CID 71346900
8-(pyridin-4-ylmethylamino)octanoic acid
CID 102039807
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
7-(4-iodophenyl)heptanoic acid
CID 177483295
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
6-(4-fluorophenyl)hexanoic acid
CID 14739735
10-(4-methylphenyl)decanoic acid
CID 54262490
7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid
CID 24700548
6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid
CID 16789577
nonanedioic acid;bis(pyridine-4-carboxamide)
CID 139205511

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-ylhexanoic acid?
The IUPAC name of 6-pyridin-4-ylhexanoic acid (CID 12904562) is 6-pyridin-4-ylhexanoic acid.
What is the SMILES notation for 6-pyridin-4-ylhexanoic acid?
The canonical SMILES for 6-pyridin-4-ylhexanoic acid is O=C(O)CCCCCc1ccncc1.
What is the InChIKey of 6-pyridin-4-ylhexanoic acid?
The InChIKey is GJIMUROXBBUAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-11(14)5-3-1-2-4-10-6-8-12-9-7-10/h6-9H,1-5H2,(H,13,14).
What are the key properties of 6-pyridin-4-ylhexanoic acid?
6-pyridin-4-ylhexanoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-ylhexanoic acid is sourced from PubChem (CID 12904562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).