2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde

C5H4ClNO2 — CID 98012839

IUPAC2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde
SMILESO=Cc1cc(O)[nH]c1Cl
InChIInChI=1S/C5H4ClNO2/c6-5-3(2-8)1-4(9)7-5/h1-2,7,9H
InChIKeyXAEBQOIKROVTRT-UHFFFAOYSA-N
MW145.54 g/mol
LogP1.19
Rot. Bonds1

About 2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde

2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde (PubChem CID 98012839) has the molecular formula C5H4ClNO2 and a molecular weight of 145.54 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde
PubChem CID98012839
Molecular FormulaC5H4ClNO2
Molecular Weight145.54 g/mol
Exact Mass144.99
IUPAC Name2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde
SMILESO=Cc1cc(O)[nH]c1Cl
InChIInChI=1S/C5H4ClNO2/c6-5-3(2-8)1-4(9)7-5/h1-2,7,9H
InChIKeyXAEBQOIKROVTRT-UHFFFAOYSA-N
XLogP1.19
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.54
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde 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

5-chloro-1H-pyrrole-2,4-dicarbaldehyde
CID 14686211
2,5-dichloro-4-hydroxybenzaldehyde
CID 528381
2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 119023480
4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde
CID 177311411
5-chloro-6-hydroxy-1H-indole-3-carbaldehyde
CID 123762927
5-chloro-2-ethyl-4-hydroxybenzaldehyde
CID 77174862
3,5-dichloro-2-hydroxybenzaldehyde;palladium(2+)
CID 175867579
5-bromo-3-chloro-2,4-dihydroxybenzaldehyde
CID 14832396
azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde
CID 161490550
4,6,7-trihydroxynaphthalene-1-carbaldehyde
CID 45092952
2-chloro-5-methylthiophene-3-carbaldehyde
CID 83480225
2-hydroxy-5-sulfanylbenzaldehyde
CID 90836240

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde?
The IUPAC name of 2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde (CID 98012839) is 2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde.
What is the SMILES notation for 2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde?
The canonical SMILES for 2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde is O=Cc1cc(O)[nH]c1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde?
The InChIKey is XAEBQOIKROVTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO2/c6-5-3(2-8)1-4(9)7-5/h1-2,7,9H.
What are the key properties of 2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde?
2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde has a molecular weight of 145.54 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde is sourced from PubChem (CID 98012839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).