2-(6-bromo-2-pyridinyl)-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one

C14H11BrN2O2S — CID 118384600

IUPAC2-(6-bromo-2-pyridinyl)-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one
SMILESO=C1C=C(O)CC(c2ccsc2)(c2cccc(Br)n2)N1
InChIInChI=1S/C14H11BrN2O2S/c15-12-3-1-2-11(16-12)14(9-4-5-20-8-9)7-10(18)6-13(19)17-14/h1-6,8,18H,7H2,(H,17,19)
InChIKeyOIKMEWPGZZEMDL-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.11
Rot. Bonds2

About 2-(6-bromo-2-pyridinyl)-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one

2-(6-bromo-2-pyridinyl)-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one (PubChem CID 118384600) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one.

Molecular Properties

Compound Name2-(6-bromo-2-pyridinyl)-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one
PubChem CID118384600
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC Name2-(6-bromo-2-pyridinyl)-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one
SMILESO=C1C=C(O)CC(c2ccsc2)(c2cccc(Br)n2)N1
InChIInChI=1S/C14H11BrN2O2S/c15-12-3-1-2-11(16-12)14(9-4-5-20-8-9)7-10(18)6-13(19)17-14/h1-6,8,18H,7H2,(H,17,19)
InChIKeyOIKMEWPGZZEMDL-UHFFFAOYSA-N
XLogP3.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.11
H-Bond Donors ≤ 52
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 2-(6-bromo-2-pyridinyl)-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one?
The IUPAC name of 2-(6-bromo-2-pyridinyl)-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one (CID 118384600) is 2-(6-bromo-2-pyridinyl)-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one.
What is the SMILES notation for 2-(6-bromo-2-pyridinyl)-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one?
The canonical SMILES for 2-(6-bromo-2-pyridinyl)-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one is O=C1C=C(O)CC(c2ccsc2)(c2cccc(Br)n2)N1.
What is the InChIKey of 2-(6-bromo-2-pyridinyl)-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one?
The InChIKey is OIKMEWPGZZEMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c15-12-3-1-2-11(16-12)14(9-4-5-20-8-9)7-10(18)6-13(19)17-14/h1-6,8,18H,7H2,(H,17,19).
What are the key properties of 2-(6-bromo-2-pyridinyl)-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one?
2-(6-bromo-2-pyridinyl)-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one has a molecular weight of 351.23 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-pyridinyl)-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one is sourced from PubChem (CID 118384600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).