2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid

C12H14ClN3O3 — CID 63380093

IUPAC2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
SMILESNC(=O)C1CCCCN1c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H14ClN3O3/c13-9-5-4-7(12(18)19)11(15-9)16-6-2-1-3-8(16)10(14)17/h4-5,8H,1-3,6H2,(H2,14,17)(H,18,19)
InChIKeyXBCGCHHQZCBZAT-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.28
Rot. Bonds3

About 2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid

2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid (PubChem CID 63380093) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
PubChem CID63380093
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC Name2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
SMILESNC(=O)C1CCCCN1c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H14ClN3O3/c13-9-5-4-7(12(18)19)11(15-9)16-6-2-1-3-8(16)10(14)17/h4-5,8H,1-3,6H2,(H2,14,17)(H,18,19)
InChIKeyXBCGCHHQZCBZAT-UHFFFAOYSA-N
XLogP1.28
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid?
The IUPAC name of 2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid (CID 63380093) is 2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid is NC(=O)C1CCCCN1c1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid?
The InChIKey is XBCGCHHQZCBZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c13-9-5-4-7(12(18)19)11(15-9)16-6-2-1-3-8(16)10(14)17/h4-5,8H,1-3,6H2,(H2,14,17)(H,18,19).
What are the key properties of 2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid?
2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid has a molecular weight of 283.71 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid is sourced from PubChem (CID 63380093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).