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

C11H11BrN2O4 — CID 120532728

IUPAC3-[(3-bromopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1ccncc1Br
InChIInChI=1S/C11H11BrN2O4/c12-8-5-13-3-1-7(8)9(15)14-11(10(16)17)2-4-18-6-11/h1,3,5H,2,4,6H2,(H,14,15)(H,16,17)
InChIKeyKTTALRWZMDFXRB-UHFFFAOYSA-N
MW315.12 g/mol
LogP0.82
Rot. Bonds3

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

3-[(3-bromopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 120532728) has the molecular formula C11H11BrN2O4 and a molecular weight of 315.12 g/mol. Its IUPAC name is 3-[(3-bromopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(3-bromopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID120532728
Molecular FormulaC11H11BrN2O4
Molecular Weight315.12 g/mol
Exact Mass313.99
IUPAC Name3-[(3-bromopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1ccncc1Br
InChIInChI=1S/C11H11BrN2O4/c12-8-5-13-3-1-7(8)9(15)14-11(10(16)17)2-4-18-6-11/h1,3,5H,2,4,6H2,(H,14,15)(H,16,17)
InChIKeyKTTALRWZMDFXRB-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methylpyridine-4-carbonyl)amino]oxane-4-carboxylic acid
CID 114278637
4-[(2-bromobenzoyl)amino]oxane-4-carboxylic acid
CID 113280132
3-[(3,5-dibromobenzoyl)amino]oxolane-3-carboxylic acid
CID 107971497
3-[(3-bromo-4-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 103925896
3-[(4-bromo-3-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 64889400
3-[(4-bromo-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 113396648
3-(quinoxaline-5-carbonylamino)oxolane-3-carboxylic acid
CID 104614138
3-[(6-chloropyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64888056
3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 104638297
3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64890825
3-(2H-triazole-4-carbonylamino)oxolane-3-carboxylic acid
CID 64890738
3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid
CID 120532730

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(3-bromopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid (CID 120532728) is 3-[(3-bromopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(3-bromopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(3-bromopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)c1ccncc1Br.
What is the InChIKey of 3-[(3-bromopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is KTTALRWZMDFXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O4/c12-8-5-13-3-1-7(8)9(15)14-11(10(16)17)2-4-18-6-11/h1,3,5H,2,4,6H2,(H,14,15)(H,16,17).
What are the key properties of 3-[(3-bromopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(3-bromopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 315.12 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromopyridine-4-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 120532728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).