6-chloro-5-(4-pyrrolidin-2-ylphenyl)-1H-indole-3-carbaldehyde

C19H17ClN2O — CID 141367669

IUPAC6-chloro-5-(4-pyrrolidin-2-ylphenyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2cc(Cl)c(-c3ccc(C4CCCN4)cc3)cc12
InChIInChI=1S/C19H17ClN2O/c20-17-9-19-16(14(11-23)10-22-19)8-15(17)12-3-5-13(6-4-12)18-2-1-7-21-18/h3-6,8-11,18,21-22H,1-2,7H2
InChIKeyVTZNFONWAUVZCH-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.73
Rot. Bonds3

About 6-chloro-5-(4-pyrrolidin-2-ylphenyl)-1H-indole-3-carbaldehyde

6-chloro-5-(4-pyrrolidin-2-ylphenyl)-1H-indole-3-carbaldehyde (PubChem CID 141367669) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 6-chloro-5-(4-pyrrolidin-2-ylphenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-5-(4-pyrrolidin-2-ylphenyl)-1H-indole-3-carbaldehyde
PubChem CID141367669
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name6-chloro-5-(4-pyrrolidin-2-ylphenyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2cc(Cl)c(-c3ccc(C4CCCN4)cc3)cc12
InChIInChI=1S/C19H17ClN2O/c20-17-9-19-16(14(11-23)10-22-19)8-15(17)12-3-5-13(6-4-12)18-2-1-7-21-18/h3-6,8-11,18,21-22H,1-2,7H2
InChIKeyVTZNFONWAUVZCH-UHFFFAOYSA-N
XLogP4.73
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-6-bromo-2,3-dihydro-1,4-benzodioxin-2-yl]methanol;6-chloro-5-[(2R)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1H-indole-3-carbaldehyde
CID 162134320
6-chloro-5-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1H-indole-3-carboxylic acid
CID 123853411
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
3-[4-[(2R)-pyrrolidin-2-yl]phenyl]benzoic acid
CID 125012094
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
6-chloro-5-[4-[(1R,2R)-2-hydroxycyclopentyl]oxyphenyl]-1H-indole-3-carboxylic acid
CID 86698669
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037
2-(3-chloro-4-cyclohexylphenyl)pyrrolidine
CID 117414258
2-(4-pyrrolidin-2-ylphenyl)benzoic acid
CID 110162717

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(4-pyrrolidin-2-ylphenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 6-chloro-5-(4-pyrrolidin-2-ylphenyl)-1H-indole-3-carbaldehyde (CID 141367669) is 6-chloro-5-(4-pyrrolidin-2-ylphenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 6-chloro-5-(4-pyrrolidin-2-ylphenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 6-chloro-5-(4-pyrrolidin-2-ylphenyl)-1H-indole-3-carbaldehyde is O=Cc1c[nH]c2cc(Cl)c(-c3ccc(C4CCCN4)cc3)cc12.
What is the InChIKey of 6-chloro-5-(4-pyrrolidin-2-ylphenyl)-1H-indole-3-carbaldehyde?
The InChIKey is VTZNFONWAUVZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c20-17-9-19-16(14(11-23)10-22-19)8-15(17)12-3-5-13(6-4-12)18-2-1-7-21-18/h3-6,8-11,18,21-22H,1-2,7H2.
What are the key properties of 6-chloro-5-(4-pyrrolidin-2-ylphenyl)-1H-indole-3-carbaldehyde?
6-chloro-5-(4-pyrrolidin-2-ylphenyl)-1H-indole-3-carbaldehyde has a molecular weight of 324.81 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(4-pyrrolidin-2-ylphenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 141367669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).