2-chloro-3-(methoxymethyl)imidazole-4-carbaldehyde

C6H7ClN2O2 — CID 125427339

IUPAC2-chloro-3-(methoxymethyl)imidazole-4-carbaldehyde
SMILESCOCn1c(C=O)cnc1Cl
InChIInChI=1S/C6H7ClN2O2/c1-11-4-9-5(3-10)2-8-6(9)7/h2-3H,4H2,1H3
InChIKeyXQLRMOUEVNXADO-UHFFFAOYSA-N
MW174.59 g/mol
LogP0.95
Rot. Bonds3

About 2-chloro-3-(methoxymethyl)imidazole-4-carbaldehyde

2-chloro-3-(methoxymethyl)imidazole-4-carbaldehyde (PubChem CID 125427339) has the molecular formula C6H7ClN2O2 and a molecular weight of 174.59 g/mol. Its IUPAC name is 2-chloro-3-(methoxymethyl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-3-(methoxymethyl)imidazole-4-carbaldehyde
PubChem CID125427339
Molecular FormulaC6H7ClN2O2
Molecular Weight174.59 g/mol
Exact Mass174.02
IUPAC Name2-chloro-3-(methoxymethyl)imidazole-4-carbaldehyde
SMILESCOCn1c(C=O)cnc1Cl
InChIInChI=1S/C6H7ClN2O2/c1-11-4-9-5(3-10)2-8-6(9)7/h2-3H,4H2,1H3
InChIKeyXQLRMOUEVNXADO-UHFFFAOYSA-N
XLogP0.95
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(methoxymethyl)imidazole-4-carbaldehyde?
The IUPAC name of 2-chloro-3-(methoxymethyl)imidazole-4-carbaldehyde (CID 125427339) is 2-chloro-3-(methoxymethyl)imidazole-4-carbaldehyde.
What is the SMILES notation for 2-chloro-3-(methoxymethyl)imidazole-4-carbaldehyde?
The canonical SMILES for 2-chloro-3-(methoxymethyl)imidazole-4-carbaldehyde is COCn1c(C=O)cnc1Cl.
What is the InChIKey of 2-chloro-3-(methoxymethyl)imidazole-4-carbaldehyde?
The InChIKey is XQLRMOUEVNXADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2/c1-11-4-9-5(3-10)2-8-6(9)7/h2-3H,4H2,1H3.
What are the key properties of 2-chloro-3-(methoxymethyl)imidazole-4-carbaldehyde?
2-chloro-3-(methoxymethyl)imidazole-4-carbaldehyde has a molecular weight of 174.59 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(methoxymethyl)imidazole-4-carbaldehyde is sourced from PubChem (CID 125427339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).