2-[(5-iodo-2-pyridinyl)amino]hexanoic acid

C11H15IN2O2 — CID 122060460

IUPAC2-[(5-iodo-2-pyridinyl)amino]hexanoic acid
SMILESCCCCC(Nc1ccc(I)cn1)C(=O)O
InChIInChI=1S/C11H15IN2O2/c1-2-3-4-9(11(15)16)14-10-6-5-8(12)7-13-10/h5-7,9H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyLTEDUOBSIDYPEN-UHFFFAOYSA-N
MW334.16 g/mol
LogP2.74
Rot. Bonds6

About 2-[(5-iodo-2-pyridinyl)amino]hexanoic acid

2-[(5-iodo-2-pyridinyl)amino]hexanoic acid (PubChem CID 122060460) has the molecular formula C11H15IN2O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 2-[(5-iodo-2-pyridinyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(5-iodo-2-pyridinyl)amino]hexanoic acid
PubChem CID122060460
Molecular FormulaC11H15IN2O2
Molecular Weight334.16 g/mol
Exact Mass334.02
IUPAC Name2-[(5-iodo-2-pyridinyl)amino]hexanoic acid
SMILESCCCCC(Nc1ccc(I)cn1)C(=O)O
InChIInChI=1S/C11H15IN2O2/c1-2-3-4-9(11(15)16)14-10-6-5-8(12)7-13-10/h5-7,9H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyLTEDUOBSIDYPEN-UHFFFAOYSA-N
XLogP2.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]hexanoic acid
CID 122062714
(2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid
CID 122062830
(2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid
CID 122063002
2-[(2-propan-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122060352
(2S)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122062866
6-(1-carboxypentylamino)pyridine-2-carboxylic acid
CID 122060298
2-[(4-methyl-5-nitro-2-pyridinyl)amino]hexanoic acid
CID 79173918
2-[(2-phenylpyrimidin-4-yl)amino]hexanoic acid
CID 122060341
2-[(6-propylpyrimidin-4-yl)amino]hexanoic acid
CID 61241478
(2S)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]hexanoic acid
CID 122062796
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958442
2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid
CID 62959796

Frequently Asked Questions

What is the IUPAC name of 2-[(5-iodo-2-pyridinyl)amino]hexanoic acid?
The IUPAC name of 2-[(5-iodo-2-pyridinyl)amino]hexanoic acid (CID 122060460) is 2-[(5-iodo-2-pyridinyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(5-iodo-2-pyridinyl)amino]hexanoic acid?
The canonical SMILES for 2-[(5-iodo-2-pyridinyl)amino]hexanoic acid is CCCCC(Nc1ccc(I)cn1)C(=O)O.
What is the InChIKey of 2-[(5-iodo-2-pyridinyl)amino]hexanoic acid?
The InChIKey is LTEDUOBSIDYPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O2/c1-2-3-4-9(11(15)16)14-10-6-5-8(12)7-13-10/h5-7,9H,2-4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(5-iodo-2-pyridinyl)amino]hexanoic acid?
2-[(5-iodo-2-pyridinyl)amino]hexanoic acid has a molecular weight of 334.16 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-iodo-2-pyridinyl)amino]hexanoic acid is sourced from PubChem (CID 122060460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).