6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid

C14H20ClN3O2 — CID 63380022

IUPAC6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCN(C)CC1CCN(c2nc(Cl)ccc2C(=O)O)CC1
InChIInChI=1S/C14H20ClN3O2/c1-17(2)9-10-5-7-18(8-6-10)13-11(14(19)20)3-4-12(15)16-13/h3-4,10H,5-9H2,1-2H3,(H,19,20)
InChIKeyHAGQMMLGDORFSN-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.21
Rot. Bonds4

About 6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid

6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 63380022) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID63380022
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCN(C)CC1CCN(c2nc(Cl)ccc2C(=O)O)CC1
InChIInChI=1S/C14H20ClN3O2/c1-17(2)9-10-5-7-18(8-6-10)13-11(14(19)20)3-4-12(15)16-13/h3-4,10H,5-9H2,1-2H3,(H,19,20)
InChIKeyHAGQMMLGDORFSN-UHFFFAOYSA-N
XLogP2.21
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.21
H-Bond Donors ≤ 51
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 6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid (CID 63380022) is 6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid is CN(C)CC1CCN(c2nc(Cl)ccc2C(=O)O)CC1.
What is the InChIKey of 6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is HAGQMMLGDORFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-17(2)9-10-5-7-18(8-6-10)13-11(14(19)20)3-4-12(15)16-13/h3-4,10H,5-9H2,1-2H3,(H,19,20).
What are the key properties of 6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid?
6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 297.79 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63380022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).