6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid

C13H16N2O4 — CID 112627134

IUPAC6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(=O)N2CCC(CO)C2)ccc1C(=O)O
InChIInChI=1S/C13H16N2O4/c1-8-10(13(18)19)2-3-11(14-8)12(17)15-5-4-9(6-15)7-16/h2-3,9,16H,4-7H2,1H3,(H,18,19)
InChIKeyBRFQVJKGEBTMDO-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.54
Rot. Bonds3

About 6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid

6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid (PubChem CID 112627134) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid
PubChem CID112627134
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(=O)N2CCC(CO)C2)ccc1C(=O)O
InChIInChI=1S/C13H16N2O4/c1-8-10(13(18)19)2-3-11(14-8)12(17)15-5-4-9(6-15)7-16/h2-3,9,16H,4-7H2,1H3,(H,18,19)
InChIKeyBRFQVJKGEBTMDO-UHFFFAOYSA-N
XLogP0.54
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid
CID 112625893
(2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 61060891
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid
CID 43453206
[3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 80666813
(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370766
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 62348870
4,5-difluoro-2-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]benzoic acid
CID 115965042
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2,3,4,5,6-pentamethylphenyl)methanone
CID 62370587
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 62371842
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104642023
[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62347907

Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid (CID 112627134) is 6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid is Cc1nc(C(=O)N2CCC(CO)C2)ccc1C(=O)O.
What is the InChIKey of 6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid?
The InChIKey is BRFQVJKGEBTMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8-10(13(18)19)2-3-11(14-8)12(17)15-5-4-9(6-15)7-16/h2-3,9,16H,4-7H2,1H3,(H,18,19).
What are the key properties of 6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid?
6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 112627134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).