5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid

C13H17ClN2O3 — CID 107227689

IUPAC5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCCC(CCO)C2)ncc1Cl
InChIInChI=1S/C13H17ClN2O3/c14-11-7-15-12(6-10(11)13(18)19)16-4-1-2-9(8-16)3-5-17/h6-7,9,17H,1-5,8H2,(H,18,19)
InChIKeyDYIWUEZWZOTHGB-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.03
Rot. Bonds4

About 5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid

5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid (PubChem CID 107227689) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid
PubChem CID107227689
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCCC(CCO)C2)ncc1Cl
InChIInChI=1S/C13H17ClN2O3/c14-11-7-15-12(6-10(11)13(18)19)16-4-1-2-9(8-16)3-5-17/h6-7,9,17H,1-5,8H2,(H,18,19)
InChIKeyDYIWUEZWZOTHGB-UHFFFAOYSA-N
XLogP2.03
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid
CID 114919529
5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid
CID 114919432
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 107227673
5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 114919590
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloropyridine-4-carboxylic acid
CID 114919262
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-chloropyridine-4-carboxylic acid
CID 114919798
5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid
CID 114919701
2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 103761496
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 78999071
2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol
CID 83271881
(2-amino-5-chloro-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228718
2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228582

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid (CID 107227689) is 5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid is O=C(O)c1cc(N2CCCC(CCO)C2)ncc1Cl.
What is the InChIKey of 5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid?
The InChIKey is DYIWUEZWZOTHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c14-11-7-15-12(6-10(11)13(18)19)16-4-1-2-9(8-16)3-5-17/h6-7,9,17H,1-5,8H2,(H,18,19).
What are the key properties of 5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid?
5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid has a molecular weight of 284.74 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 107227689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).