2-(5-bromo-2-chloropyrimidin-4-yl)thieno[3,2-c]pyridine

C11H5BrClN3S — CID 57428873

IUPAC2-(5-bromo-2-chloropyrimidin-4-yl)thieno[3,2-c]pyridine
SMILESClc1ncc(Br)c(-c2cc3cnccc3s2)n1
InChIInChI=1S/C11H5BrClN3S/c12-7-5-15-11(13)16-10(7)9-3-6-4-14-2-1-8(6)17-9/h1-5H
InChIKeyNBILEFBKVFAYTK-UHFFFAOYSA-N
MW326.61 g/mol
LogP4.17
Rot. Bonds1

About 2-(5-bromo-2-chloropyrimidin-4-yl)thieno[3,2-c]pyridine

2-(5-bromo-2-chloropyrimidin-4-yl)thieno[3,2-c]pyridine (PubChem CID 57428873) has the molecular formula C11H5BrClN3S and a molecular weight of 326.61 g/mol. Its IUPAC name is 2-(5-bromo-2-chloropyrimidin-4-yl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-(5-bromo-2-chloropyrimidin-4-yl)thieno[3,2-c]pyridine
PubChem CID57428873
Molecular FormulaC11H5BrClN3S
Molecular Weight326.61 g/mol
Exact Mass324.91
IUPAC Name2-(5-bromo-2-chloropyrimidin-4-yl)thieno[3,2-c]pyridine
SMILESClc1ncc(Br)c(-c2cc3cnccc3s2)n1
InChIInChI=1S/C11H5BrClN3S/c12-7-5-15-11(13)16-10(7)9-3-6-4-14-2-1-8(6)17-9/h1-5H
InChIKeyNBILEFBKVFAYTK-UHFFFAOYSA-N
XLogP4.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.61
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chloropyrimidin-4-yl)thieno[3,2-c]pyridine?
The IUPAC name of 2-(5-bromo-2-chloropyrimidin-4-yl)thieno[3,2-c]pyridine (CID 57428873) is 2-(5-bromo-2-chloropyrimidin-4-yl)thieno[3,2-c]pyridine.
What is the SMILES notation for 2-(5-bromo-2-chloropyrimidin-4-yl)thieno[3,2-c]pyridine?
The canonical SMILES for 2-(5-bromo-2-chloropyrimidin-4-yl)thieno[3,2-c]pyridine is Clc1ncc(Br)c(-c2cc3cnccc3s2)n1.
What is the InChIKey of 2-(5-bromo-2-chloropyrimidin-4-yl)thieno[3,2-c]pyridine?
The InChIKey is NBILEFBKVFAYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClN3S/c12-7-5-15-11(13)16-10(7)9-3-6-4-14-2-1-8(6)17-9/h1-5H.
What are the key properties of 2-(5-bromo-2-chloropyrimidin-4-yl)thieno[3,2-c]pyridine?
2-(5-bromo-2-chloropyrimidin-4-yl)thieno[3,2-c]pyridine has a molecular weight of 326.61 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chloropyrimidin-4-yl)thieno[3,2-c]pyridine is sourced from PubChem (CID 57428873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).