6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid

C13H18N2O3 — CID 114798297

IUPAC6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCC(CCO)C2)nc1
InChIInChI=1S/C13H18N2O3/c16-6-4-10-3-5-15(8-10)9-12-2-1-11(7-14-12)13(17)18/h1-2,7,10,16H,3-6,8-9H2,(H,17,18)
InChIKeySFRNWRUZHHUDJK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.98
Rot. Bonds5

About 6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid

6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 114798297) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
PubChem CID114798297
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCC(CCO)C2)nc1
InChIInChI=1S/C13H18N2O3/c16-6-4-10-3-5-15(8-10)9-12-2-1-11(7-14-12)13(17)18/h1-2,7,10,16H,3-6,8-9H2,(H,17,18)
InChIKeySFRNWRUZHHUDJK-UHFFFAOYSA-N
XLogP0.98
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 103196622
6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid
CID 81198910
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 107227673
2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
CID 114799922
methyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate
CID 113282021
2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol
CID 103056925
3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid
CID 81320286
2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
CID 115648053
3-bromo-4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid
CID 107227881
3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 114801981
2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol
CID 62356299
1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114798437

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid (CID 114798297) is 6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(CN2CCC(CCO)C2)nc1.
What is the InChIKey of 6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is SFRNWRUZHHUDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-6-4-10-3-5-15(8-10)9-12-2-1-11(7-14-12)13(17)18/h1-2,7,10,16H,3-6,8-9H2,(H,17,18).
What are the key properties of 6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid?
6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114798297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).