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

C13H18ClN3O2 — CID 55183258

IUPAC6-chloro-2-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCNCC1CCCN(c2nc(Cl)ccc2C(=O)O)C1
InChIInChI=1S/C13H18ClN3O2/c1-15-7-9-3-2-6-17(8-9)12-10(13(18)19)4-5-11(14)16-12/h4-5,9,15H,2-3,6-8H2,1H3,(H,18,19)
InChIKeyTZSMCQJYKNRJSR-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.87
Rot. Bonds4

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

6-chloro-2-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 55183258) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 6-chloro-2-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID55183258
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name6-chloro-2-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCNCC1CCCN(c2nc(Cl)ccc2C(=O)O)C1
InChIInChI=1S/C13H18ClN3O2/c1-15-7-9-3-2-6-17(8-9)12-10(13(18)19)4-5-11(14)16-12/h4-5,9,15H,2-3,6-8H2,1H3,(H,18,19)
InChIKeyTZSMCQJYKNRJSR-UHFFFAOYSA-N
XLogP1.87
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.87
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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Related Compounds

2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
CID 63376854
2-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 61404286
5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 61404189
6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 63380022
6-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboxylic acid
CID 79170050
6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 63376481
6-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63380421
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
methyl 6-chloro-2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 167311278
2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341
2-[3-[(2,3-dihydro-1-benzofuran-5-carbonylamino)methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 131938732
(2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 106688448

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 55183258) is 6-chloro-2-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid is CNCC1CCCN(c2nc(Cl)ccc2C(=O)O)C1.
What is the InChIKey of 6-chloro-2-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is TZSMCQJYKNRJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-15-7-9-3-2-6-17(8-9)12-10(13(18)19)4-5-11(14)16-12/h4-5,9,15H,2-3,6-8H2,1H3,(H,18,19).
What are the key properties of 6-chloro-2-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
6-chloro-2-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 283.76 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 55183258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).