(6-methoxy-3-pyridinyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone

C13H10N2O2S — CID 123611999

IUPAC(6-methoxy-3-pyridinyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc3cc[nH]c3s2)cn1
InChIInChI=1S/C13H10N2O2S/c1-17-11-3-2-9(7-15-11)12(16)10-6-8-4-5-14-13(8)18-10/h2-7,14H,1H3
InChIKeyVIIPEEKDPLNXRD-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.86
Rot. Bonds3

About (6-methoxy-3-pyridinyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone

(6-methoxy-3-pyridinyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone (PubChem CID 123611999) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone
PubChem CID123611999
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name(6-methoxy-3-pyridinyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc3cc[nH]c3s2)cn1
InChIInChI=1S/C13H10N2O2S/c1-17-11-3-2-9(7-15-11)12(16)10-6-8-4-5-14-13(8)18-10/h2-7,14H,1H3
InChIKeyVIIPEEKDPLNXRD-UHFFFAOYSA-N
XLogP2.86
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone?
The IUPAC name of (6-methoxy-3-pyridinyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone (CID 123611999) is (6-methoxy-3-pyridinyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone?
The canonical SMILES for (6-methoxy-3-pyridinyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone is COc1ccc(C(=O)c2cc3cc[nH]c3s2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone?
The InChIKey is VIIPEEKDPLNXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-17-11-3-2-9(7-15-11)12(16)10-6-8-4-5-14-13(8)18-10/h2-7,14H,1H3.
What are the key properties of (6-methoxy-3-pyridinyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone?
(6-methoxy-3-pyridinyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone has a molecular weight of 258.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-(6H-thieno[2,3-b]pyrrol-2-yl)methanone is sourced from PubChem (CID 123611999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).