(5-bromothieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanone

C12H8BrF2NOS — CID 172542137

IUPAC(5-bromothieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanone
SMILESO=C(c1cc2cc(Br)cnc2s1)C1CC(F)(F)C1
InChIInChI=1S/C12H8BrF2NOS/c13-8-1-6-2-9(18-11(6)16-5-8)10(17)7-3-12(14,15)4-7/h1-2,5,7H,3-4H2
InChIKeyVRLHQIMMCRVAMX-UHFFFAOYSA-N
MW332.17 g/mol
LogP4.29
Rot. Bonds2

About (5-bromothieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanone

(5-bromothieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanone (PubChem CID 172542137) has the molecular formula C12H8BrF2NOS and a molecular weight of 332.17 g/mol. Its IUPAC name is (5-bromothieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanone.

Molecular Properties

Compound Name(5-bromothieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanone
PubChem CID172542137
Molecular FormulaC12H8BrF2NOS
Molecular Weight332.17 g/mol
Exact Mass330.95
IUPAC Name(5-bromothieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanone
SMILESO=C(c1cc2cc(Br)cnc2s1)C1CC(F)(F)C1
InChIInChI=1S/C12H8BrF2NOS/c13-8-1-6-2-9(18-11(6)16-5-8)10(17)7-3-12(14,15)4-7/h1-2,5,7H,3-4H2
InChIKeyVRLHQIMMCRVAMX-UHFFFAOYSA-N
XLogP4.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromothieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanone?
The IUPAC name of (5-bromothieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanone (CID 172542137) is (5-bromothieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanone.
What is the SMILES notation for (5-bromothieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanone?
The canonical SMILES for (5-bromothieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanone is O=C(c1cc2cc(Br)cnc2s1)C1CC(F)(F)C1.
What is the InChIKey of (5-bromothieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanone?
The InChIKey is VRLHQIMMCRVAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NOS/c13-8-1-6-2-9(18-11(6)16-5-8)10(17)7-3-12(14,15)4-7/h1-2,5,7H,3-4H2.
What are the key properties of (5-bromothieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanone?
(5-bromothieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanone has a molecular weight of 332.17 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothieno[2,3-b]pyridin-2-yl)-(3,3-difluorocyclobutyl)methanone is sourced from PubChem (CID 172542137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).