4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-chlorothieno[3,2-d]pyrimidine

C13H6BrClN4S — CID 138719097

IUPAC4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-chlorothieno[3,2-d]pyrimidine
SMILESClc1nc(-c2c[nH]c3cnc(Br)cc23)c2sccc2n1
InChIInChI=1S/C13H6BrClN4S/c14-10-3-6-7(4-16-9(6)5-17-10)11-12-8(1-2-20-12)18-13(15)19-11/h1-5,16H
InChIKeyIDSDFVJTAXXYEN-UHFFFAOYSA-N
MW365.64 g/mol
LogP4.65
Rot. Bonds1

About 4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-chlorothieno[3,2-d]pyrimidine

4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-chlorothieno[3,2-d]pyrimidine (PubChem CID 138719097) has the molecular formula C13H6BrClN4S and a molecular weight of 365.64 g/mol. Its IUPAC name is 4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-chlorothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-chlorothieno[3,2-d]pyrimidine
PubChem CID138719097
Molecular FormulaC13H6BrClN4S
Molecular Weight365.64 g/mol
Exact Mass363.92
IUPAC Name4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-chlorothieno[3,2-d]pyrimidine
SMILESClc1nc(-c2c[nH]c3cnc(Br)cc23)c2sccc2n1
InChIInChI=1S/C13H6BrClN4S/c14-10-3-6-7(4-16-9(6)5-17-10)11-12-8(1-2-20-12)18-13(15)19-11/h1-5,16H
InChIKeyIDSDFVJTAXXYEN-UHFFFAOYSA-N
XLogP4.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.64
LogP ≤ 54.65
H-Bond Donors ≤ 51
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-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-chlorothieno[3,2-d]pyrimidine?
The IUPAC name of 4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-chlorothieno[3,2-d]pyrimidine (CID 138719097) is 4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-chlorothieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-chlorothieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-chlorothieno[3,2-d]pyrimidine is Clc1nc(-c2c[nH]c3cnc(Br)cc23)c2sccc2n1.
What is the InChIKey of 4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-chlorothieno[3,2-d]pyrimidine?
The InChIKey is IDSDFVJTAXXYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClN4S/c14-10-3-6-7(4-16-9(6)5-17-10)11-12-8(1-2-20-12)18-13(15)19-11/h1-5,16H.
What are the key properties of 4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-chlorothieno[3,2-d]pyrimidine?
4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-chlorothieno[3,2-d]pyrimidine has a molecular weight of 365.64 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-chlorothieno[3,2-d]pyrimidine is sourced from PubChem (CID 138719097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).