2,6-dipentyl-1H-pyridine-2-carboxylic acid

C16H27NO2 — CID 70482492

IUPAC2,6-dipentyl-1H-pyridine-2-carboxylic acid
SMILESCCCCCC1=CC=CC(CCCCC)(C(=O)O)N1
InChIInChI=1S/C16H27NO2/c1-3-5-7-10-14-11-9-13-16(17-14,15(18)19)12-8-6-4-2/h9,11,13,17H,3-8,10,12H2,1-2H3,(H,18,19)
InChIKeyVPHIFSLJBHTRRE-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.01
Rot. Bonds9

About 2,6-dipentyl-1H-pyridine-2-carboxylic acid

2,6-dipentyl-1H-pyridine-2-carboxylic acid (PubChem CID 70482492) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,6-dipentyl-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2,6-dipentyl-1H-pyridine-2-carboxylic acid
PubChem CID70482492
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2,6-dipentyl-1H-pyridine-2-carboxylic acid
SMILESCCCCCC1=CC=CC(CCCCC)(C(=O)O)N1
InChIInChI=1S/C16H27NO2/c1-3-5-7-10-14-11-9-13-16(17-14,15(18)19)12-8-6-4-2/h9,11,13,17H,3-8,10,12H2,1-2H3,(H,18,19)
InChIKeyVPHIFSLJBHTRRE-UHFFFAOYSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-nonyl-2-octylcyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 174885576
heptadecane;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 175287614
heptane;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 161283855
1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid;octan-1-ol
CID 161038565
2,6-dichloro-6-pentylcyclohexa-2,4-diene-1-carboxylic acid
CID 71093592
3-decyl-1-octylcyclohexa-2,5-diene-1,4-dicarboxylic acid
CID 70149268
1,2,5-trioctylcyclohexa-3,5-diene-1,2,4-tricarboxylic acid
CID 90093268
5-dodecyl-1,2-di(undecyl)cyclohexa-3,5-diene-1,2,4-tricarboxylic acid
CID 70398523
3-heptyl-1H-pyridin-2-one;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 174748475
1-bromoundecane;(1S)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 174420956
2-octyl-1,3-dihydroindene-2-carboxylic acid
CID 65406419
butan-1-ol;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 157389006

Frequently Asked Questions

What is the IUPAC name of 2,6-dipentyl-1H-pyridine-2-carboxylic acid?
The IUPAC name of 2,6-dipentyl-1H-pyridine-2-carboxylic acid (CID 70482492) is 2,6-dipentyl-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 2,6-dipentyl-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 2,6-dipentyl-1H-pyridine-2-carboxylic acid is CCCCCC1=CC=CC(CCCCC)(C(=O)O)N1.
What is the InChIKey of 2,6-dipentyl-1H-pyridine-2-carboxylic acid?
The InChIKey is VPHIFSLJBHTRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-5-7-10-14-11-9-13-16(17-14,15(18)19)12-8-6-4-2/h9,11,13,17H,3-8,10,12H2,1-2H3,(H,18,19).
What are the key properties of 2,6-dipentyl-1H-pyridine-2-carboxylic acid?
2,6-dipentyl-1H-pyridine-2-carboxylic acid has a molecular weight of 265.40 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipentyl-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 70482492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).