5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid

C10H11ClN2O3 — CID 114919590

IUPAC5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCC(O)C2)ncc1Cl
InChIInChI=1S/C10H11ClN2O3/c11-8-4-12-9(3-7(8)10(15)16)13-2-1-6(14)5-13/h3-4,6,14H,1-2,5H2,(H,15,16)
InChIKeyYEEGNFWFXCTNNZ-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.00
Rot. Bonds2

About 5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid

5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid (PubChem CID 114919590) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
PubChem CID114919590
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCC(O)C2)ncc1Cl
InChIInChI=1S/C10H11ClN2O3/c11-8-4-12-9(3-7(8)10(15)16)13-2-1-6(14)5-13/h3-4,6,14H,1-2,5H2,(H,15,16)
InChIKeyYEEGNFWFXCTNNZ-UHFFFAOYSA-N
XLogP1.00
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.00
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
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloropyridine-4-carboxylic acid
CID 114919262
5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid
CID 114919777
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-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 114919341
5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 107227689
5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid
CID 114919701
5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid
CID 114919432
5-chloro-2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyridine-4-carboxylic acid
CID 114919776
(3R)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 129416138
(3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 129416146
5-chloro-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxylic acid
CID 102889234

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid (CID 114919590) is 5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid is O=C(O)c1cc(N2CCC(O)C2)ncc1Cl.
What is the InChIKey of 5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is YEEGNFWFXCTNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-8-4-12-9(3-7(8)10(15)16)13-2-1-6(14)5-13/h3-4,6,14H,1-2,5H2,(H,15,16).
What are the key properties of 5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid?
5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid has a molecular weight of 242.66 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 114919590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).