(4-bromo-7-chlorothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone

C12H10BrClN2O2S — CID 129160755

IUPAC(4-bromo-7-chlorothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(Br)cnc(Cl)c2s1)N1CCOCC1
InChIInChI=1S/C12H10BrClN2O2S/c13-8-6-15-11(14)10-7(8)5-9(19-10)12(17)16-1-3-18-4-2-16/h5-6H,1-4H2
InChIKeyKVNVPIWHCSYVQC-UHFFFAOYSA-N
MW361.65 g/mol
LogP3.18
Rot. Bonds1

About (4-bromo-7-chlorothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone

(4-bromo-7-chlorothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone (PubChem CID 129160755) has the molecular formula C12H10BrClN2O2S and a molecular weight of 361.65 g/mol. Its IUPAC name is (4-bromo-7-chlorothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromo-7-chlorothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone
PubChem CID129160755
Molecular FormulaC12H10BrClN2O2S
Molecular Weight361.65 g/mol
Exact Mass359.93
IUPAC Name(4-bromo-7-chlorothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(Br)cnc(Cl)c2s1)N1CCOCC1
InChIInChI=1S/C12H10BrClN2O2S/c13-8-6-15-11(14)10-7(8)5-9(19-10)12(17)16-1-3-18-4-2-16/h5-6H,1-4H2
InChIKeyKVNVPIWHCSYVQC-UHFFFAOYSA-N
XLogP3.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.65
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-7-chlorothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-bromo-7-chlorothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone (CID 129160755) is (4-bromo-7-chlorothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-bromo-7-chlorothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-bromo-7-chlorothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone is O=C(c1cc2c(Br)cnc(Cl)c2s1)N1CCOCC1.
What is the InChIKey of (4-bromo-7-chlorothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is KVNVPIWHCSYVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2S/c13-8-6-15-11(14)10-7(8)5-9(19-10)12(17)16-1-3-18-4-2-16/h5-6H,1-4H2.
What are the key properties of (4-bromo-7-chlorothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone?
(4-bromo-7-chlorothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 361.65 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-7-chlorothieno[2,3-c]pyridin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 129160755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).