(4-bromothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone

C12H11BrN2O2S — CID 129160726

IUPAC(4-bromothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(Br)cncc2s1)N1CCOCC1
InChIInChI=1S/C12H11BrN2O2S/c13-9-6-14-7-11-8(9)5-10(18-11)12(16)15-1-3-17-4-2-15/h5-7H,1-4H2
InChIKeyROHKVEOEMWRGSK-UHFFFAOYSA-N
MW327.20 g/mol
LogP2.53
Rot. Bonds1

About (4-bromothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone

(4-bromothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone (PubChem CID 129160726) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is (4-bromothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone
PubChem CID129160726
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC Name(4-bromothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(Br)cncc2s1)N1CCOCC1
InChIInChI=1S/C12H11BrN2O2S/c13-9-6-14-7-11-8(9)5-10(18-11)12(16)15-1-3-17-4-2-15/h5-7H,1-4H2
InChIKeyROHKVEOEMWRGSK-UHFFFAOYSA-N
XLogP2.53
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-bromothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone (CID 129160726) is (4-bromothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-bromothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-bromothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone is O=C(c1cc2c(Br)cncc2s1)N1CCOCC1.
What is the InChIKey of (4-bromothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is ROHKVEOEMWRGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c13-9-6-14-7-11-8(9)5-10(18-11)12(16)15-1-3-17-4-2-15/h5-7H,1-4H2.
What are the key properties of (4-bromothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone?
(4-bromothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 327.20 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 129160726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).