6-(1-aminopentyl)pyridine-2-carboxylic acid

C11H16N2O2 — CID 171922233

IUPAC6-(1-aminopentyl)pyridine-2-carboxylic acid
SMILESCCCCC(N)c1cccc(C(=O)O)n1
InChIInChI=1S/C11H16N2O2/c1-2-3-5-8(12)9-6-4-7-10(13-9)11(14)15/h4,6-8H,2-3,5,12H2,1H3,(H,14,15)
InChIKeyCUXFUMHSIIRIDL-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.97
Rot. Bonds5

About 6-(1-aminopentyl)pyridine-2-carboxylic acid

6-(1-aminopentyl)pyridine-2-carboxylic acid (PubChem CID 171922233) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-(1-aminopentyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1-aminopentyl)pyridine-2-carboxylic acid
PubChem CID171922233
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name6-(1-aminopentyl)pyridine-2-carboxylic acid
SMILESCCCCC(N)c1cccc(C(=O)O)n1
InChIInChI=1S/C11H16N2O2/c1-2-3-5-8(12)9-6-4-7-10(13-9)11(14)15/h4,6-8H,2-3,5,12H2,1H3,(H,14,15)
InChIKeyCUXFUMHSIIRIDL-UHFFFAOYSA-N
XLogP1.97
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 96644379
(1R)-1-(6-methyl-2-pyridinyl)pentan-1-amine;hydrochloride
CID 171210683
(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride
CID 171230282
6-[2,3-diamino-1-(6-carboxy-2-pyridinyl)propyl]pyridine-2-carboxylic acid
CID 67372478
6-(1-carboxypentylamino)pyridine-2-carboxylic acid
CID 122060298
pyridine-2-carboxylic acid;tetrabutylphosphanium
CID 160817396
ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
CID 131869074
6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid
CID 146294484
6-tributylstannylpyridine-2-carboxylic acid
CID 174892380
1-(6-methyl-2-pyridinyl)butan-1-amine
CID 63554352
(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol
CID 55265043
6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558340

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminopentyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(1-aminopentyl)pyridine-2-carboxylic acid (CID 171922233) is 6-(1-aminopentyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(1-aminopentyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(1-aminopentyl)pyridine-2-carboxylic acid is CCCCC(N)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-(1-aminopentyl)pyridine-2-carboxylic acid?
The InChIKey is CUXFUMHSIIRIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-3-5-8(12)9-6-4-7-10(13-9)11(14)15/h4,6-8H,2-3,5,12H2,1H3,(H,14,15).
What are the key properties of 6-(1-aminopentyl)pyridine-2-carboxylic acid?
6-(1-aminopentyl)pyridine-2-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminopentyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 171922233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).