2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid

C13H17ClN2O3 — CID 65472831

IUPAC2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid
SMILESCN1CCCCC1COc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C13H17ClN2O3/c1-16-5-3-2-4-10(16)8-19-12-7-9(13(17)18)6-11(14)15-12/h6-7,10H,2-5,8H2,1H3,(H,17,18)
InChIKeyMSBYWHCNZXEZKG-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.30
Rot. Bonds4

About 2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid

2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid (PubChem CID 65472831) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid
PubChem CID65472831
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid
SMILESCN1CCCCC1COc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C13H17ClN2O3/c1-16-5-3-2-4-10(16)8-19-12-7-9(13(17)18)6-11(14)15-12/h6-7,10H,2-5,8H2,1H3,(H,17,18)
InChIKeyMSBYWHCNZXEZKG-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

4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid
CID 168910704
methyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate
CID 178104654
6-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 65471120
4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid
CID 166870743
2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid
CID 114137693
2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid
CID 107554961
3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid
CID 65469618
2-chloro-6-propoxypyridine-4-carboxylic acid
CID 43247945
3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid
CID 65469620
[2-methyl-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-yl]hydrazine
CID 80921266
3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine
CID 117063213
6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine
CID 80877128

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid (CID 65472831) is 2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid is CN1CCCCC1COc1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid?
The InChIKey is MSBYWHCNZXEZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-16-5-3-2-4-10(16)8-19-12-7-9(13(17)18)6-11(14)15-12/h6-7,10H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid?
2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]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-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 65472831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).