4-bromothieno[2,3-c]pyridine-2-carbonitrile

C8H3BrN2S — CID 53440033

IUPAC4-bromothieno[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(Br)cncc2s1
InChIInChI=1S/C8H3BrN2S/c9-7-3-11-4-8-6(7)1-5(2-10)12-8/h1,3-4H
InChIKeyNCUVXXRGNFXXPJ-UHFFFAOYSA-N
MW239.10 g/mol
LogP2.93
Rot. Bonds

About 4-bromothieno[2,3-c]pyridine-2-carbonitrile

4-bromothieno[2,3-c]pyridine-2-carbonitrile (PubChem CID 53440033) has the molecular formula C8H3BrN2S and a molecular weight of 239.10 g/mol. Its IUPAC name is 4-bromothieno[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-bromothieno[2,3-c]pyridine-2-carbonitrile
PubChem CID53440033
Molecular FormulaC8H3BrN2S
Molecular Weight239.10 g/mol
Exact Mass237.92
IUPAC Name4-bromothieno[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(Br)cncc2s1
InChIInChI=1S/C8H3BrN2S/c9-7-3-11-4-8-6(7)1-5(2-10)12-8/h1,3-4H
InChIKeyNCUVXXRGNFXXPJ-UHFFFAOYSA-N
XLogP2.93
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromothieno[2,3-c]pyridine-2-carbonitrile?
The IUPAC name of 4-bromothieno[2,3-c]pyridine-2-carbonitrile (CID 53440033) is 4-bromothieno[2,3-c]pyridine-2-carbonitrile.
What is the SMILES notation for 4-bromothieno[2,3-c]pyridine-2-carbonitrile?
The canonical SMILES for 4-bromothieno[2,3-c]pyridine-2-carbonitrile is N#Cc1cc2c(Br)cncc2s1.
What is the InChIKey of 4-bromothieno[2,3-c]pyridine-2-carbonitrile?
The InChIKey is NCUVXXRGNFXXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrN2S/c9-7-3-11-4-8-6(7)1-5(2-10)12-8/h1,3-4H.
What are the key properties of 4-bromothieno[2,3-c]pyridine-2-carbonitrile?
4-bromothieno[2,3-c]pyridine-2-carbonitrile has a molecular weight of 239.10 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromothieno[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 53440033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).