5-(5-chloro-1-methylpyrrol-2-yl)-1-methylpyrrole-2-carbaldehyde

C11H11ClN2O — CID 96590420

IUPAC5-(5-chloro-1-methylpyrrol-2-yl)-1-methylpyrrole-2-carbaldehyde
SMILESCn1c(Cl)ccc1-c1ccc(C=O)n1C
InChIInChI=1S/C11H11ClN2O/c1-13-8(7-15)3-4-9(13)10-5-6-11(12)14(10)2/h3-7H,1-2H3
InChIKeyNKQKQWQQSUORKU-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.50
Rot. Bonds2

About 5-(5-chloro-1-methylpyrrol-2-yl)-1-methylpyrrole-2-carbaldehyde

5-(5-chloro-1-methylpyrrol-2-yl)-1-methylpyrrole-2-carbaldehyde (PubChem CID 96590420) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-(5-chloro-1-methylpyrrol-2-yl)-1-methylpyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-chloro-1-methylpyrrol-2-yl)-1-methylpyrrole-2-carbaldehyde
PubChem CID96590420
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name5-(5-chloro-1-methylpyrrol-2-yl)-1-methylpyrrole-2-carbaldehyde
SMILESCn1c(Cl)ccc1-c1ccc(C=O)n1C
InChIInChI=1S/C11H11ClN2O/c1-13-8(7-15)3-4-9(13)10-5-6-11(12)14(10)2/h3-7H,1-2H3
InChIKeyNKQKQWQQSUORKU-UHFFFAOYSA-N
XLogP2.50
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-5-(1-methylpyrrol-2-yl)pyrrole-2-carbaldehyde
CID 82374319
1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde
CID 28811544
5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrole-2-carbaldehyde
CID 115004650
1-methyl-5-methylsulfonylpyrrole-2-carbaldehyde
CID 100952304
1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrole-2-carbaldehyde
CID 28811541
1-benzyl-5-chloropyrrole-2-carbaldehyde
CID 14686207
5-(2-hydroxyethyl)-1-methylpyrrole-2-carbaldehyde
CID 169092984
5-chloro-1-pyridin-2-ylpyrrole-2-carbaldehyde
CID 87180422
5-chloro-1-methylpyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 84665767
ethyl (E)-3-(5-formyl-1-methylpyrrol-2-yl)prop-2-enoate
CID 122163598
7-chloro-1-methylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol
CID 166476014
2-[[5-(2,5-dichlorophenyl)-1-methylpyrrol-2-yl]methylidene]propanedinitrile
CID 945892

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1-methylpyrrol-2-yl)-1-methylpyrrole-2-carbaldehyde?
The IUPAC name of 5-(5-chloro-1-methylpyrrol-2-yl)-1-methylpyrrole-2-carbaldehyde (CID 96590420) is 5-(5-chloro-1-methylpyrrol-2-yl)-1-methylpyrrole-2-carbaldehyde.
What is the SMILES notation for 5-(5-chloro-1-methylpyrrol-2-yl)-1-methylpyrrole-2-carbaldehyde?
The canonical SMILES for 5-(5-chloro-1-methylpyrrol-2-yl)-1-methylpyrrole-2-carbaldehyde is Cn1c(Cl)ccc1-c1ccc(C=O)n1C.
What is the InChIKey of 5-(5-chloro-1-methylpyrrol-2-yl)-1-methylpyrrole-2-carbaldehyde?
The InChIKey is NKQKQWQQSUORKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-13-8(7-15)3-4-9(13)10-5-6-11(12)14(10)2/h3-7H,1-2H3.
What are the key properties of 5-(5-chloro-1-methylpyrrol-2-yl)-1-methylpyrrole-2-carbaldehyde?
5-(5-chloro-1-methylpyrrol-2-yl)-1-methylpyrrole-2-carbaldehyde has a molecular weight of 222.68 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1-methylpyrrol-2-yl)-1-methylpyrrole-2-carbaldehyde is sourced from PubChem (CID 96590420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).