3,5-dichloro-1H-pyrrole-2-carbaldehyde

C5H3Cl2NO — CID 84651754

IUPAC3,5-dichloro-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1[nH]c(Cl)cc1Cl
InChIInChI=1S/C5H3Cl2NO/c6-3-1-5(7)8-4(3)2-9/h1-2,8H
InChIKeyHOIGOJDYFSINJR-UHFFFAOYSA-N
MW163.99 g/mol
LogP2.13
Rot. Bonds1

About 3,5-dichloro-1H-pyrrole-2-carbaldehyde

3,5-dichloro-1H-pyrrole-2-carbaldehyde (PubChem CID 84651754) has the molecular formula C5H3Cl2NO and a molecular weight of 163.99 g/mol. Its IUPAC name is 3,5-dichloro-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name3,5-dichloro-1H-pyrrole-2-carbaldehyde
PubChem CID84651754
Molecular FormulaC5H3Cl2NO
Molecular Weight163.99 g/mol
Exact Mass162.96
IUPAC Name3,5-dichloro-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1[nH]c(Cl)cc1Cl
InChIInChI=1S/C5H3Cl2NO/c6-3-1-5(7)8-4(3)2-9/h1-2,8H
InChIKeyHOIGOJDYFSINJR-UHFFFAOYSA-N
XLogP2.13
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.99
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1H-pyrazole-5-carbaldehyde
CID 2761026
5-chloro-1H-pyrrole-2,4-dicarbaldehyde
CID 14686211
2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde
CID 98012839
3-chloro-5-formyl-1H-pyrrole-2-carboxylic acid
CID 86644902
5-chloro-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
CID 130072646
N-(4,6-dichloro-2-oxo-1H-pyridin-3-yl)acetamide
CID 23242570
1H-pyrrole-2,3,5-tricarbaldehyde
CID 12914964
6-chloro-3-fluoro-2-iodo-1H-pyridin-4-one
CID 178200375
5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130072658
4,6-dichloro-1H-pyrimidin-2-one
CID 171036306
5,7-dichloro-2-methyl-1H-indole-3-carbaldehyde
CID 65335092
4-chloro-6-fluoro-2H-indazole-3-carbaldehyde
CID 24728176

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 3,5-dichloro-1H-pyrrole-2-carbaldehyde (CID 84651754) is 3,5-dichloro-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 3,5-dichloro-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 3,5-dichloro-1H-pyrrole-2-carbaldehyde is O=Cc1[nH]c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-1H-pyrrole-2-carbaldehyde?
The InChIKey is HOIGOJDYFSINJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2NO/c6-3-1-5(7)8-4(3)2-9/h1-2,8H.
What are the key properties of 3,5-dichloro-1H-pyrrole-2-carbaldehyde?
3,5-dichloro-1H-pyrrole-2-carbaldehyde has a molecular weight of 163.99 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 84651754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).