2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid

C12H16N2O3 — CID 129445709

IUPAC2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
SMILESC[C@H]1CN(c2ncccc2C(=O)O)CC[C@H]1O
InChIInChI=1S/C12H16N2O3/c1-8-7-14(6-4-10(8)15)11-9(12(16)17)3-2-5-13-11/h2-3,5,8,10,15H,4,6-7H2,1H3,(H,16,17)/t8-,10+/m0/s1
InChIKeyWFEHTULJBMQTIA-WCBMZHEXSA-N
MW236.27 g/mol
LogP0.99
Rot. Bonds2

About 2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid

2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 129445709) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID129445709
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
SMILESC[C@H]1CN(c2ncccc2C(=O)O)CC[C@H]1O
InChIInChI=1S/C12H16N2O3/c1-8-7-14(6-4-10(8)15)11-9(12(16)17)3-2-5-13-11/h2-3,5,8,10,15H,4,6-7H2,1H3,(H,16,17)/t8-,10+/m0/s1
InChIKeyWFEHTULJBMQTIA-WCBMZHEXSA-N
XLogP0.99
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114678869
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62085076
(3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol
CID 129445700
2-[(3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129497483
3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol
CID 114680845
2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129496225
2-[3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 121201168
2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129499940
2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129496223
2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]benzoic acid
CID 129394712
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid (CID 129445709) is 2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid is C[C@H]1CN(c2ncccc2C(=O)O)CC[C@H]1O.
What is the InChIKey of 2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is WFEHTULJBMQTIA-WCBMZHEXSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-7-14(6-4-10(8)15)11-9(12(16)17)3-2-5-13-11/h2-3,5,8,10,15H,4,6-7H2,1H3,(H,16,17)/t8-,10+/m0/s1.
What are the key properties of 2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 129445709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).