5-(2,6-difluorobenzoyl)-1H-pyrrole-2-carbaldehyde

C12H7F2NO2 — CID 82389543

IUPAC5-(2,6-difluorobenzoyl)-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(C(=O)c2c(F)cccc2F)[nH]1
InChIInChI=1S/C12H7F2NO2/c13-8-2-1-3-9(14)11(8)12(17)10-5-4-7(6-16)15-10/h1-6,15H
InChIKeyDNLZFQDVSLNLRH-UHFFFAOYSA-N
MW235.19 g/mol
LogP2.34
Rot. Bonds3

About 5-(2,6-difluorobenzoyl)-1H-pyrrole-2-carbaldehyde

5-(2,6-difluorobenzoyl)-1H-pyrrole-2-carbaldehyde (PubChem CID 82389543) has the molecular formula C12H7F2NO2 and a molecular weight of 235.19 g/mol. Its IUPAC name is 5-(2,6-difluorobenzoyl)-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,6-difluorobenzoyl)-1H-pyrrole-2-carbaldehyde
PubChem CID82389543
Molecular FormulaC12H7F2NO2
Molecular Weight235.19 g/mol
Exact Mass235.04
IUPAC Name5-(2,6-difluorobenzoyl)-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(C(=O)c2c(F)cccc2F)[nH]1
InChIInChI=1S/C12H7F2NO2/c13-8-2-1-3-9(14)11(8)12(17)10-5-4-7(6-16)15-10/h1-6,15H
InChIKeyDNLZFQDVSLNLRH-UHFFFAOYSA-N
XLogP2.34
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chlorobenzoyl)-1H-pyrrole-2-carbaldehyde
CID 84726860
5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 133091494
5-(1-phenylethenyl)-1H-pyrrole-2-carbaldehyde
CID 22628798
(2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone
CID 63750336
4-(2,6-difluorobenzoyl)-1-methylpyrrole-2-carbaldehyde
CID 3728632
(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanone
CID 114558735
(2,6-difluorophenyl)-(2-hydroxyphenyl)methanone
CID 135044829
(2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338532
(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 79522795
CID 161042703
CID 161042703
2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide
CID 142995031
bis(7-fluoro-1H-indol-2-yl)methanone
CID 152595291

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorobenzoyl)-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-(2,6-difluorobenzoyl)-1H-pyrrole-2-carbaldehyde (CID 82389543) is 5-(2,6-difluorobenzoyl)-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-(2,6-difluorobenzoyl)-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-(2,6-difluorobenzoyl)-1H-pyrrole-2-carbaldehyde is O=Cc1ccc(C(=O)c2c(F)cccc2F)[nH]1.
What is the InChIKey of 5-(2,6-difluorobenzoyl)-1H-pyrrole-2-carbaldehyde?
The InChIKey is DNLZFQDVSLNLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO2/c13-8-2-1-3-9(14)11(8)12(17)10-5-4-7(6-16)15-10/h1-6,15H.
What are the key properties of 5-(2,6-difluorobenzoyl)-1H-pyrrole-2-carbaldehyde?
5-(2,6-difluorobenzoyl)-1H-pyrrole-2-carbaldehyde has a molecular weight of 235.19 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorobenzoyl)-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 82389543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).