3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile

C15H10N2OS — CID 3261971

IUPAC3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile
SMILESCc1ccc(-c2[nH]c3ccc(C#N)cc3c2C=O)s1
InChIInChI=1S/C15H10N2OS/c1-9-2-5-14(19-9)15-12(8-18)11-6-10(7-16)3-4-13(11)17-15/h2-6,8,17H,1H3
InChIKeyLPBHATAKHPSUKM-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.89
Rot. Bonds2

About 3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile

3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile (PubChem CID 3261971) has the molecular formula C15H10N2OS and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile
PubChem CID3261971
Molecular FormulaC15H10N2OS
Molecular Weight266.33 g/mol
Exact Mass266.05
IUPAC Name3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile
SMILESCc1ccc(-c2[nH]c3ccc(C#N)cc3c2C=O)s1
InChIInChI=1S/C15H10N2OS/c1-9-2-5-14(19-9)15-12(8-18)11-6-10(7-16)3-4-13(11)17-15/h2-6,8,17H,1H3
InChIKeyLPBHATAKHPSUKM-UHFFFAOYSA-N
XLogP3.89
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 4298784
2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde
CID 5238228
7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde
CID 3799575
7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde
CID 3590182
2,3-dimethyl-1H-indole-5-carbonitrile
CID 15483079
3-methyl-2-trimethylsilyl-1H-indole-5-carbonitrile
CID 57475127
2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde
CID 82050108
3-amino-4-(5-methylthiophen-2-yl)benzonitrile
CID 78965507
2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile
CID 131219662
9H-carbazole-3-carbonitrile
CID 21107343
2-formyl-1H-indole-5-carbonitrile
CID 11579193
5-bromo-2-(2,5-dimethylthiophen-3-yl)-1H-indole-3-carbaldehyde
CID 3446972

Frequently Asked Questions

What is the IUPAC name of 3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile?
The IUPAC name of 3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile (CID 3261971) is 3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile?
The canonical SMILES for 3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile is Cc1ccc(-c2[nH]c3ccc(C#N)cc3c2C=O)s1.
What is the InChIKey of 3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile?
The InChIKey is LPBHATAKHPSUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2OS/c1-9-2-5-14(19-9)15-12(8-18)11-6-10(7-16)3-4-13(11)17-15/h2-6,8,17H,1H3.
What are the key properties of 3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile?
3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile has a molecular weight of 266.33 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 3261971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).