1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid

C11H13IN2O2 — CID 134406007

IUPAC1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(I)nc2)CC1
InChIInChI=1S/C11H13IN2O2/c12-10-2-1-9(7-13-10)14-5-3-8(4-6-14)11(15)16/h1-2,7-8H,3-6H2,(H,15,16)
InChIKeyHAWHCEDMPUXZPK-UHFFFAOYSA-N
MW332.14 g/mol
LogP1.99
Rot. Bonds2

About 1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid

1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 134406007) has the molecular formula C11H13IN2O2 and a molecular weight of 332.14 g/mol. Its IUPAC name is 1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid
PubChem CID134406007
Molecular FormulaC11H13IN2O2
Molecular Weight332.14 g/mol
Exact Mass332.00
IUPAC Name1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(I)nc2)CC1
InChIInChI=1S/C11H13IN2O2/c12-10-2-1-9(7-13-10)14-5-3-8(4-6-14)11(15)16/h1-2,7-8H,3-6H2,(H,15,16)
InChIKeyHAWHCEDMPUXZPK-UHFFFAOYSA-N
XLogP1.99
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[6-(methylamino)-3-pyridinyl]piperidine-4-carboxylic acid
CID 144878454
2-hydroxy-1-[4-(6-iodo-3-pyridinyl)piperazin-1-yl]ethanone
CID 134406781
1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid
CID 39187771
5-(4-aminopiperidin-1-yl)pyridine-2-carboxylic acid
CID 115760472
1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid
CID 82647068
1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid
CID 69133100
1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 43517519
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
1-(5-hydroxy-2-pyridinyl)piperidine-4-carboxylic acid
CID 67234813
[1-(6-iodo-3-pyridinyl)-2-oxopiperidin-3-yl]carbamic acid
CID 129218883
1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide
CID 83122876
7-(6-iodo-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane
CID 134406353

Frequently Asked Questions

What is the IUPAC name of 1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid (CID 134406007) is 1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccc(I)nc2)CC1.
What is the InChIKey of 1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is HAWHCEDMPUXZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O2/c12-10-2-1-9(7-13-10)14-5-3-8(4-6-14)11(15)16/h1-2,7-8H,3-6H2,(H,15,16).
What are the key properties of 1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid?
1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 332.14 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-iodo-3-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 134406007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).