2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid

C12H16N2O3 — CID 115041390

IUPAC2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid
SMILESCOc1ncc(C2CCCCN2)cc1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-17-11-9(12(15)16)6-8(7-14-11)10-4-2-3-5-13-10/h6-7,10,13H,2-5H2,1H3,(H,15,16)
InChIKeyNLBKMDKGCDWSHQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.60
Rot. Bonds3

About 2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid

2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid (PubChem CID 115041390) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid
PubChem CID115041390
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid
SMILESCOc1ncc(C2CCCCN2)cc1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-17-11-9(12(15)16)6-8(7-14-11)10-4-2-3-5-13-10/h6-7,10,13H,2-5H2,1H3,(H,15,16)
InChIKeyNLBKMDKGCDWSHQ-UHFFFAOYSA-N
XLogP1.60
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-5-piperidin-2-yl-3-pyridinyl)methanamine
CID 115032836
2-methoxy-5-piperidin-2-ylpyridine-3-carbonitrile
CID 115030168
3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid
CID 131871286
2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid
CID 115033808
methyl 5-piperidin-2-ylpyridine-2-carboxylate
CID 54396693
2-(azepan-2-yl)-5-methoxybenzoic acid
CID 12784739
5,6-dimethoxy-4-piperidin-2-ylpyridin-3-ol
CID 84700693
acetic acid;3-piperidin-2-ylpyridine
CID 175134059
2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid
CID 66519029
5-pyrrolidin-2-ylpyridine-2-carboxylic acid
CID 55296830
2-fluoro-5-pyrrolidin-2-ylbenzoic acid
CID 77131521
methyl 3-fluoro-2-hydroxy-5-piperidin-2-ylbenzoate
CID 117385565

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid (CID 115041390) is 2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid is COc1ncc(C2CCCCN2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid?
The InChIKey is NLBKMDKGCDWSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-11-9(12(15)16)6-8(7-14-11)10-4-2-3-5-13-10/h6-7,10,13H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid?
2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 115041390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).