4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid

C11H11BrN2O4 — CID 66221629

IUPAC4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1ccc(Br)cn1
InChIInChI=1S/C11H11BrN2O4/c12-6-1-2-8(13-3-6)10(15)14-9-5-18-4-7(9)11(16)17/h1-3,7,9H,4-5H2,(H,14,15)(H,16,17)
InChIKeyQJDGMTCGIDDYMC-UHFFFAOYSA-N
MW315.12 g/mol
LogP0.67
Rot. Bonds3

About 4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid

4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66221629) has the molecular formula C11H11BrN2O4 and a molecular weight of 315.12 g/mol. Its IUPAC name is 4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66221629
Molecular FormulaC11H11BrN2O4
Molecular Weight315.12 g/mol
Exact Mass313.99
IUPAC Name4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1ccc(Br)cn1
InChIInChI=1S/C11H11BrN2O4/c12-6-1-2-8(13-3-6)10(15)14-9-5-18-4-7(9)11(16)17/h1-3,7,9H,4-5H2,(H,14,15)(H,16,17)
InChIKeyQJDGMTCGIDDYMC-UHFFFAOYSA-N
XLogP0.67
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107729418
4-[(3-bromobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223965
4-[(5-bromo-2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223102
4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid
CID 66222895
4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 62958596
5-bromo-N-(2-chlorocycloheptyl)pyridine-2-carboxamide
CID 113395079
4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66222915
4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107688107
4-[(4-bromophenyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66240540
4-[(2,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66221387
(3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 69438976
4-[(2,5-dibromophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239564

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid (CID 66221629) is 4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid is O=C(NC1COCC1C(=O)O)c1ccc(Br)cn1.
What is the InChIKey of 4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is QJDGMTCGIDDYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O4/c12-6-1-2-8(13-3-6)10(15)14-9-5-18-4-7(9)11(16)17/h1-3,7,9H,4-5H2,(H,14,15)(H,16,17).
What are the key properties of 4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid?
4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 315.12 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66221629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).