2-hydroxy-7-pyridin-2-ylheptanoic acid

C12H17NO3 — CID 175122940

IUPAC2-hydroxy-7-pyridin-2-ylheptanoic acid
SMILESO=C(O)C(O)CCCCCc1ccccn1
InChIInChI=1S/C12H17NO3/c14-11(12(15)16)8-3-1-2-6-10-7-4-5-9-13-10/h4-5,7,9,11,14H,1-3,6,8H2,(H,15,16)
InChIKeyVLVYNBFNMSFPRQ-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.63
Rot. Bonds7

About 2-hydroxy-7-pyridin-2-ylheptanoic acid

2-hydroxy-7-pyridin-2-ylheptanoic acid (PubChem CID 175122940) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-hydroxy-7-pyridin-2-ylheptanoic acid.

Molecular Properties

Compound Name2-hydroxy-7-pyridin-2-ylheptanoic acid
PubChem CID175122940
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-hydroxy-7-pyridin-2-ylheptanoic acid
SMILESO=C(O)C(O)CCCCCc1ccccn1
InChIInChI=1S/C12H17NO3/c14-11(12(15)16)8-3-1-2-6-10-7-4-5-9-13-10/h4-5,7,9,11,14H,1-3,6,8H2,(H,15,16)
InChIKeyVLVYNBFNMSFPRQ-UHFFFAOYSA-N
XLogP1.63
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 54563679
2-(7-phenylheptyl)pyridine
CID 54510986
9-pyridin-2-ylnonan-1-ol
CID 12680899
6-pyridin-2-ylhexanoate
CID 7109691
(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
(1-hydroxy-8-pyridin-2-yloctan-4-yl) acetate
CID 54190402
2-undecylpyridine
CID 66882765
2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol
CID 70556575
2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine
CID 158040240
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7-pyridin-2-ylheptanoic acid?
The IUPAC name of 2-hydroxy-7-pyridin-2-ylheptanoic acid (CID 175122940) is 2-hydroxy-7-pyridin-2-ylheptanoic acid.
What is the SMILES notation for 2-hydroxy-7-pyridin-2-ylheptanoic acid?
The canonical SMILES for 2-hydroxy-7-pyridin-2-ylheptanoic acid is O=C(O)C(O)CCCCCc1ccccn1.
What is the InChIKey of 2-hydroxy-7-pyridin-2-ylheptanoic acid?
The InChIKey is VLVYNBFNMSFPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-11(12(15)16)8-3-1-2-6-10-7-4-5-9-13-10/h4-5,7,9,11,14H,1-3,6,8H2,(H,15,16).
What are the key properties of 2-hydroxy-7-pyridin-2-ylheptanoic acid?
2-hydroxy-7-pyridin-2-ylheptanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7-pyridin-2-ylheptanoic acid is sourced from PubChem (CID 175122940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).