2-(1-pentyl-2H-pyridin-2-yl)acetic acid

C12H19NO2 — CID 162720512

IUPAC2-(1-pentyl-2H-pyridin-2-yl)acetic acid
SMILESCCCCCN1C=CC=CC1CC(=O)O
InChIInChI=1S/C12H19NO2/c1-2-3-5-8-13-9-6-4-7-11(13)10-12(14)15/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,14,15)
InChIKeyBTYBXEGTUYCOAD-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.41
Rot. Bonds6

About 2-(1-pentyl-2H-pyridin-2-yl)acetic acid

2-(1-pentyl-2H-pyridin-2-yl)acetic acid (PubChem CID 162720512) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(1-pentyl-2H-pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-pentyl-2H-pyridin-2-yl)acetic acid
PubChem CID162720512
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(1-pentyl-2H-pyridin-2-yl)acetic acid
SMILESCCCCCN1C=CC=CC1CC(=O)O
InChIInChI=1S/C12H19NO2/c1-2-3-5-8-13-9-6-4-7-11(13)10-12(14)15/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,14,15)
InChIKeyBTYBXEGTUYCOAD-UHFFFAOYSA-N
XLogP2.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.41
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

1-butyl-2-hexyl-2H-pyridine
CID 141363416
2-bromo-1-hexyl-2H-pyridine
CID 161493012
1-hexyl-2-methyl-2H-pyridine
CID 141126590
1-hexadecyl-2-methyl-2H-pyridine;hydrochloride
CID 174781716
1-ethyl-2-hexyl-2H-pyridine
CID 151890426
2-(1,3-dimethyl-2H-imidazol-2-yl)acetic acid
CID 141071072
2-methyl-1-propyl-2H-pyridine;hydrobromide
CID 174983516
1,2-dibutyl-2,3-dihydroazepin-3-amine
CID 70625505
2-methyl-1,3-dioctyl-2H-imidazole
CID 21393912
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69387519
1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
CID 69393888
1,3-diheptyl-2-methyl-2H-imidazole
CID 69394446

Frequently Asked Questions

What is the IUPAC name of 2-(1-pentyl-2H-pyridin-2-yl)acetic acid?
The IUPAC name of 2-(1-pentyl-2H-pyridin-2-yl)acetic acid (CID 162720512) is 2-(1-pentyl-2H-pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-pentyl-2H-pyridin-2-yl)acetic acid?
The canonical SMILES for 2-(1-pentyl-2H-pyridin-2-yl)acetic acid is CCCCCN1C=CC=CC1CC(=O)O.
What is the InChIKey of 2-(1-pentyl-2H-pyridin-2-yl)acetic acid?
The InChIKey is BTYBXEGTUYCOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-3-5-8-13-9-6-4-7-11(13)10-12(14)15/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,14,15).
What are the key properties of 2-(1-pentyl-2H-pyridin-2-yl)acetic acid?
2-(1-pentyl-2H-pyridin-2-yl)acetic acid has a molecular weight of 209.29 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pentyl-2H-pyridin-2-yl)acetic acid is sourced from PubChem (CID 162720512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).