3-bromo-2-phenylthieno[3,2-b]pyridine

C13H8BrNS — CID 102468255

IUPAC3-bromo-2-phenylthieno[3,2-b]pyridine
SMILESBrc1c(-c2ccccc2)sc2cccnc12
InChIInChI=1S/C13H8BrNS/c14-11-12-10(7-4-8-15-12)16-13(11)9-5-2-1-3-6-9/h1-8H
InChIKeyAJFVVRHGSVADAZ-UHFFFAOYSA-N
MW290.19 g/mol
LogP4.73
Rot. Bonds1

About 3-bromo-2-phenylthieno[3,2-b]pyridine

3-bromo-2-phenylthieno[3,2-b]pyridine (PubChem CID 102468255) has the molecular formula C13H8BrNS and a molecular weight of 290.19 g/mol. Its IUPAC name is 3-bromo-2-phenylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name3-bromo-2-phenylthieno[3,2-b]pyridine
PubChem CID102468255
Molecular FormulaC13H8BrNS
Molecular Weight290.19 g/mol
Exact Mass288.96
IUPAC Name3-bromo-2-phenylthieno[3,2-b]pyridine
SMILESBrc1c(-c2ccccc2)sc2cccnc12
InChIInChI=1S/C13H8BrNS/c14-11-12-10(7-4-8-15-12)16-13(11)9-5-2-1-3-6-9/h1-8H
InChIKeyAJFVVRHGSVADAZ-UHFFFAOYSA-N
XLogP4.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-Thienyl)quinoline
CID 10242258
4-(Benzo[d]thiazol-2-yl)-1-benzylpyridin-1-ium bromide
CID 44660009
2-(3-Pyridyl)benzothiazole
CID 235922
5-Phenylthieno[3,2-b]pyridine
CID 24747710
6-bromo-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137635095
2-Pyridin-4-yl-1,3-benzothiazole
CID 236319
4-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 1130426
2-(Benzo(b)thiophen-2-yl)pyridine
CID 11505853
Thieno(3,2-b)pyridine-6-carbonitrile
CID 13939472
2,3-Dibromothieno[2,3-c]pyridine
CID 626220
Thieno[3,2-c][2,6]naphthyridine
CID 901689
4-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]pyridine
CID 738484

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-phenylthieno[3,2-b]pyridine?
The IUPAC name of 3-bromo-2-phenylthieno[3,2-b]pyridine (CID 102468255) is 3-bromo-2-phenylthieno[3,2-b]pyridine.
What is the SMILES notation for 3-bromo-2-phenylthieno[3,2-b]pyridine?
The canonical SMILES for 3-bromo-2-phenylthieno[3,2-b]pyridine is Brc1c(-c2ccccc2)sc2cccnc12.
What is the InChIKey of 3-bromo-2-phenylthieno[3,2-b]pyridine?
The InChIKey is AJFVVRHGSVADAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNS/c14-11-12-10(7-4-8-15-12)16-13(11)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 3-bromo-2-phenylthieno[3,2-b]pyridine?
3-bromo-2-phenylthieno[3,2-b]pyridine has a molecular weight of 290.19 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-phenylthieno[3,2-b]pyridine is sourced from PubChem (CID 102468255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).