2-(2,3-dipentyl-2H-pyridin-3-yl)acetic acid

C17H29NO2 — CID 70264985

IUPAC2-(2,3-dipentyl-2H-pyridin-3-yl)acetic acid
SMILESCCCCCC1N=CC=CC1(CCCCC)CC(=O)O
InChIInChI=1S/C17H29NO2/c1-3-5-7-10-15-17(14-16(19)20,11-8-6-4-2)12-9-13-18-15/h9,12-13,15H,3-8,10-11,14H2,1-2H3,(H,19,20)
InChIKeyBACIYWOFFYHSQY-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.62
Rot. Bonds10

About 2-(2,3-dipentyl-2H-pyridin-3-yl)acetic acid

2-(2,3-dipentyl-2H-pyridin-3-yl)acetic acid (PubChem CID 70264985) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(2,3-dipentyl-2H-pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dipentyl-2H-pyridin-3-yl)acetic acid
PubChem CID70264985
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(2,3-dipentyl-2H-pyridin-3-yl)acetic acid
SMILESCCCCCC1N=CC=CC1(CCCCC)CC(=O)O
InChIInChI=1S/C17H29NO2/c1-3-5-7-10-15-17(14-16(19)20,11-8-6-4-2)12-9-13-18-15/h9,12-13,15H,3-8,10-11,14H2,1-2H3,(H,19,20)
InChIKeyBACIYWOFFYHSQY-UHFFFAOYSA-N
XLogP4.62
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.62
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

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CID 102002437
2-(1-tetradecylcyclohexyl)acetic acid
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CID 174623431
acetic acid;decane
CID 172853582
acetic acid;nonane
CID 174272180
4-methyl-1,6-dioctadecylcyclohexa-2,4-dien-1-ol
CID 172729021
carbonic acid;bis(hexane)
CID 173367789
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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dipentyl-2H-pyridin-3-yl)acetic acid?
The IUPAC name of 2-(2,3-dipentyl-2H-pyridin-3-yl)acetic acid (CID 70264985) is 2-(2,3-dipentyl-2H-pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(2,3-dipentyl-2H-pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(2,3-dipentyl-2H-pyridin-3-yl)acetic acid is CCCCCC1N=CC=CC1(CCCCC)CC(=O)O.
What is the InChIKey of 2-(2,3-dipentyl-2H-pyridin-3-yl)acetic acid?
The InChIKey is BACIYWOFFYHSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-5-7-10-15-17(14-16(19)20,11-8-6-4-2)12-9-13-18-15/h9,12-13,15H,3-8,10-11,14H2,1-2H3,(H,19,20).
What are the key properties of 2-(2,3-dipentyl-2H-pyridin-3-yl)acetic acid?
2-(2,3-dipentyl-2H-pyridin-3-yl)acetic acid has a molecular weight of 279.42 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dipentyl-2H-pyridin-3-yl)acetic acid is sourced from PubChem (CID 70264985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).