6-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid

C12H15ClN2O3 — CID 63380367

IUPAC6-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1N1CCCC(CO)C1
InChIInChI=1S/C12H15ClN2O3/c13-10-4-3-9(12(17)18)11(14-10)15-5-1-2-8(6-15)7-16/h3-4,8,16H,1-2,5-7H2,(H,17,18)
InChIKeyNOBYYBIMRGZJGB-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.64
Rot. Bonds3

About 6-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid

6-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 63380367) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 6-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID63380367
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name6-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1N1CCCC(CO)C1
InChIInChI=1S/C12H15ClN2O3/c13-10-4-3-9(12(17)18)11(14-10)15-5-1-2-8(6-15)7-16/h3-4,8,16H,1-2,5-7H2,(H,17,18)
InChIKeyNOBYYBIMRGZJGB-UHFFFAOYSA-N
XLogP1.64
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 63380367) is 6-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(Cl)nc1N1CCCC(CO)C1.
What is the InChIKey of 6-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is NOBYYBIMRGZJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c13-10-4-3-9(12(17)18)11(14-10)15-5-1-2-8(6-15)7-16/h3-4,8,16H,1-2,5-7H2,(H,17,18).
What are the key properties of 6-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
6-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 270.72 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63380367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).