5-methyl-6-pyridin-2-ylhexanoic acid

C12H17NO2 — CID 58070898

IUPAC5-methyl-6-pyridin-2-ylhexanoic acid
SMILESCC(CCCC(=O)O)Cc1ccccn1
InChIInChI=1S/C12H17NO2/c1-10(5-4-7-12(14)15)9-11-6-2-3-8-13-11/h2-3,6,8,10H,4-5,7,9H2,1H3,(H,14,15)
InChIKeyCYQYQFQDUSEDQD-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.52
Rot. Bonds6

About 5-methyl-6-pyridin-2-ylhexanoic acid

5-methyl-6-pyridin-2-ylhexanoic acid (PubChem CID 58070898) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 5-methyl-6-pyridin-2-ylhexanoic acid.

Molecular Properties

Compound Name5-methyl-6-pyridin-2-ylhexanoic acid
PubChem CID58070898
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name5-methyl-6-pyridin-2-ylhexanoic acid
SMILESCC(CCCC(=O)O)Cc1ccccn1
InChIInChI=1S/C12H17NO2/c1-10(5-4-7-12(14)15)9-11-6-2-3-8-13-11/h2-3,6,8,10H,4-5,7,9H2,1H3,(H,14,15)
InChIKeyCYQYQFQDUSEDQD-UHFFFAOYSA-N
XLogP2.52
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[bis(pyridin-2-ylmethyl)amino]hexanoic acid
CID 141092997
2-(2,7-dimethyl-10-pyridin-2-yldecyl)pyridine
CID 163557685
5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid
CID 82854201
5-(pyridin-2-ylmethoxy)pentanoic acid
CID 83213720
7-methyl-1-pyridin-2-yloctan-3-one
CID 105125665
ethane;3-methyl-4-pyridin-2-ylbutan-2-one
CID 177154285
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
butanoic acid;pyridin-2-ylmethanol
CID 21117383
2-(2-methylsulfanylpropyl)pyridine;oxalic acid;platinum
CID 87206612
2-aminopentanedioic acid;2-ethylpyridine
CID 174937923
benzoic acid;bis(5-methylhexanoic acid)
CID 68983380
4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid
CID 82688959

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-pyridin-2-ylhexanoic acid?
The IUPAC name of 5-methyl-6-pyridin-2-ylhexanoic acid (CID 58070898) is 5-methyl-6-pyridin-2-ylhexanoic acid.
What is the SMILES notation for 5-methyl-6-pyridin-2-ylhexanoic acid?
The canonical SMILES for 5-methyl-6-pyridin-2-ylhexanoic acid is CC(CCCC(=O)O)Cc1ccccn1.
What is the InChIKey of 5-methyl-6-pyridin-2-ylhexanoic acid?
The InChIKey is CYQYQFQDUSEDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(5-4-7-12(14)15)9-11-6-2-3-8-13-11/h2-3,6,8,10H,4-5,7,9H2,1H3,(H,14,15).
What are the key properties of 5-methyl-6-pyridin-2-ylhexanoic acid?
5-methyl-6-pyridin-2-ylhexanoic acid has a molecular weight of 207.27 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-pyridin-2-ylhexanoic acid is sourced from PubChem (CID 58070898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).