(2,6-dichlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone

C14H9Cl2NOS — CID 15591629

IUPAC(2,6-dichlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone
SMILESCc1csc2[nH]cc(C(=O)c3c(Cl)cccc3Cl)c12
InChIInChI=1S/C14H9Cl2NOS/c1-7-6-19-14-11(7)8(5-17-14)13(18)12-9(15)3-2-4-10(12)16/h2-6,17H,1H3
InChIKeyFQZKTZUIIUFJOO-UHFFFAOYSA-N
MW310.21 g/mol
LogP5.08
Rot. Bonds2

About (2,6-dichlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone

(2,6-dichlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone (PubChem CID 15591629) has the molecular formula C14H9Cl2NOS and a molecular weight of 310.21 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone
PubChem CID15591629
Molecular FormulaC14H9Cl2NOS
Molecular Weight310.21 g/mol
Exact Mass308.98
IUPAC Name(2,6-dichlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone
SMILESCc1csc2[nH]cc(C(=O)c3c(Cl)cccc3Cl)c12
InChIInChI=1S/C14H9Cl2NOS/c1-7-6-19-14-11(7)8(5-17-14)13(18)12-9(15)3-2-4-10(12)16/h2-6,17H,1H3
InChIKeyFQZKTZUIIUFJOO-UHFFFAOYSA-N
XLogP5.08
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.21
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone?
The IUPAC name of (2,6-dichlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone (CID 15591629) is (2,6-dichlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone?
The canonical SMILES for (2,6-dichlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone is Cc1csc2[nH]cc(C(=O)c3c(Cl)cccc3Cl)c12.
What is the InChIKey of (2,6-dichlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone?
The InChIKey is FQZKTZUIIUFJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NOS/c1-7-6-19-14-11(7)8(5-17-14)13(18)12-9(15)3-2-4-10(12)16/h2-6,17H,1H3.
What are the key properties of (2,6-dichlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone?
(2,6-dichlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone has a molecular weight of 310.21 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone is sourced from PubChem (CID 15591629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).