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

C13H17ClN2O3 — CID 106587160

IUPAC2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESCOCC1CCCN(c2cc(C(=O)O)cc(Cl)n2)C1
InChIInChI=1S/C13H17ClN2O3/c1-19-8-9-3-2-4-16(7-9)12-6-10(13(17)18)5-11(14)15-12/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyDJYRYZTUHWTXJH-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.30
Rot. Bonds4

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

2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid (PubChem CID 106587160) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
PubChem CID106587160
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESCOCC1CCCN(c2cc(C(=O)O)cc(Cl)n2)C1
InChIInChI=1S/C13H17ClN2O3/c1-19-8-9-3-2-4-16(7-9)12-6-10(13(17)18)5-11(14)15-12/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyDJYRYZTUHWTXJH-UHFFFAOYSA-N
XLogP2.30
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.30
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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Related Compounds

2-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 61404286
2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 43166580
2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine
CID 106588148
2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 63620736
2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid
CID 113378557
(2-chloro-6-methyl-4-pyridinyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 104954666
4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 129414399
2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 106669843
2-ethyl-6-(3-ethylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 113380150
2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 60973947
4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid
CID 106589535
4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 106587519

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid (CID 106587160) is 2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid is COCC1CCCN(c2cc(C(=O)O)cc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid?
The InChIKey is DJYRYZTUHWTXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-19-8-9-3-2-4-16(7-9)12-6-10(13(17)18)5-11(14)15-12/h5-6,9H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid?
2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid has a molecular weight of 284.74 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 106587160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).