2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid

C11H11N5O3 — CID 168658114

IUPAC2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ncccc2C(=O)O)C1
InChIInChI=1S/C11H11N5O3/c12-15-14-5-7-4-9(17)16(6-7)10-8(11(18)19)2-1-3-13-10/h1-3,7H,4-6H2,(H,18,19)
InChIKeyVDFBYTBNEFLWOD-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.44
Rot. Bonds4

About 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid

2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 168658114) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid
PubChem CID168658114
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ncccc2C(=O)O)C1
InChIInChI=1S/C11H11N5O3/c12-15-14-5-7-4-9(17)16(6-7)10-8(11(18)19)2-1-3-13-10/h1-3,7H,4-6H2,(H,18,19)
InChIKeyVDFBYTBNEFLWOD-UHFFFAOYSA-N
XLogP1.44
TPSA119.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
CID 168656242
1-(3-amino-2-pyridinyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168658459
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-hydroxybenzoic acid
CID 168657961
4-(azidomethyl)-1-quinazolin-4-ylpyrrolidin-2-one
CID 168658636
4-(azidomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one
CID 168658182
4-(azidomethyl)-1-(4-bromoisoquinolin-1-yl)pyrrolidin-2-one
CID 168657621
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-6-fluorobenzoic acid
CID 168658410
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-3,5-dimethylbenzoic acid
CID 168656725
4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one
CID 168658472
3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybenzoic acid
CID 168657662
4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 168658001
3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-1,2,4-triazole-5-carboxylic acid
CID 168658529

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 168658114) is 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid is [N-]=[N+]=NCC1CC(=O)N(c2ncccc2C(=O)O)C1.
What is the InChIKey of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is VDFBYTBNEFLWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c12-15-14-5-7-4-9(17)16(6-7)10-8(11(18)19)2-1-3-13-10/h1-3,7H,4-6H2,(H,18,19).
What are the key properties of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid?
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 168658114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).