5-chloro-2-formyl-3-[(3S)-oxolan-3-yl]imidazole-4-carboxylic acid

C9H9ClN2O4 — CID 146504131

IUPAC5-chloro-2-formyl-3-[(3S)-oxolan-3-yl]imidazole-4-carboxylic acid
SMILESO=Cc1nc(Cl)c(C(=O)O)n1[C@H]1CCOC1
InChIInChI=1S/C9H9ClN2O4/c10-8-7(9(14)15)12(6(3-13)11-8)5-1-2-16-4-5/h3,5H,1-2,4H2,(H,14,15)/t5-/m0/s1
InChIKeyLGNWTEJJZSQKRI-YFKPBYRVSA-N
MW244.63 g/mol
LogP1.01
Rot. Bonds3

About 5-chloro-2-formyl-3-[(3S)-oxolan-3-yl]imidazole-4-carboxylic acid

5-chloro-2-formyl-3-[(3S)-oxolan-3-yl]imidazole-4-carboxylic acid (PubChem CID 146504131) has the molecular formula C9H9ClN2O4 and a molecular weight of 244.63 g/mol. Its IUPAC name is 5-chloro-2-formyl-3-[(3S)-oxolan-3-yl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-formyl-3-[(3S)-oxolan-3-yl]imidazole-4-carboxylic acid
PubChem CID146504131
Molecular FormulaC9H9ClN2O4
Molecular Weight244.63 g/mol
Exact Mass244.03
IUPAC Name5-chloro-2-formyl-3-[(3S)-oxolan-3-yl]imidazole-4-carboxylic acid
SMILESO=Cc1nc(Cl)c(C(=O)O)n1[C@H]1CCOC1
InChIInChI=1S/C9H9ClN2O4/c10-8-7(9(14)15)12(6(3-13)11-8)5-1-2-16-4-5/h3,5H,1-2,4H2,(H,14,15)/t5-/m0/s1
InChIKeyLGNWTEJJZSQKRI-YFKPBYRVSA-N
XLogP1.01
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-chloro-2-formyl-3-[(3S)-oxolan-3-yl]imidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclopentyloxy-1-(oxolan-3-yl)pyrazole-5-carboxylic acid
CID 117231819
5-iodo-1-(oxolan-3-yl)pyrazole-4-carboxylic acid
CID 130570199
2-methyl-3-(oxolan-3-yl)benzimidazole-5-carboxylic acid
CID 82790330
9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid
CID 59626371
1-(oxolan-3-yl)piperidine-3-carboxylic acid
CID 63557363
3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid
CID 80713286
2-tert-butyl-1-(oxolan-3-yl)benzimidazole-4-carboxylic acid
CID 115543941
1-(oxolan-3-yl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 80713100
2-oxo-3-[(3R)-oxolan-3-yl]imidazolidine-1-carbonyl chloride
CID 90446500
2-[1-(oxolan-3-yl)pyrrolidin-2-yl]acetic acid
CID 63563210
1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde
CID 129369752
2-methyl-7-[(3R)-oxolan-3-yl]-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxylic acid
CID 97389786

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-formyl-3-[(3S)-oxolan-3-yl]imidazole-4-carboxylic acid?
The IUPAC name of 5-chloro-2-formyl-3-[(3S)-oxolan-3-yl]imidazole-4-carboxylic acid (CID 146504131) is 5-chloro-2-formyl-3-[(3S)-oxolan-3-yl]imidazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-formyl-3-[(3S)-oxolan-3-yl]imidazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-formyl-3-[(3S)-oxolan-3-yl]imidazole-4-carboxylic acid is O=Cc1nc(Cl)c(C(=O)O)n1[C@H]1CCOC1.
What is the InChIKey of 5-chloro-2-formyl-3-[(3S)-oxolan-3-yl]imidazole-4-carboxylic acid?
The InChIKey is LGNWTEJJZSQKRI-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H9ClN2O4/c10-8-7(9(14)15)12(6(3-13)11-8)5-1-2-16-4-5/h3,5H,1-2,4H2,(H,14,15)/t5-/m0/s1.
What are the key properties of 5-chloro-2-formyl-3-[(3S)-oxolan-3-yl]imidazole-4-carboxylic acid?
5-chloro-2-formyl-3-[(3S)-oxolan-3-yl]imidazole-4-carboxylic acid has a molecular weight of 244.63 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-formyl-3-[(3S)-oxolan-3-yl]imidazole-4-carboxylic acid is sourced from PubChem (CID 146504131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).