3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile

C11H4Br2N4S — CID 105393103

IUPAC3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESN#Cc1ccn2c(-c3cc(Br)c(Br)s3)nnc2c1
InChIInChI=1S/C11H4Br2N4S/c12-7-4-8(18-10(7)13)11-16-15-9-3-6(5-14)1-2-17(9)11/h1-4H
InChIKeyJVCKDXBLGQVUIB-UHFFFAOYSA-N
MW384.06 g/mol
LogP3.85
Rot. Bonds1

About 3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile

3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (PubChem CID 105393103) has the molecular formula C11H4Br2N4S and a molecular weight of 384.06 g/mol. Its IUPAC name is 3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
PubChem CID105393103
Molecular FormulaC11H4Br2N4S
Molecular Weight384.06 g/mol
Exact Mass381.85
IUPAC Name3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESN#Cc1ccn2c(-c3cc(Br)c(Br)s3)nnc2c1
InChIInChI=1S/C11H4Br2N4S/c12-7-4-8(18-10(7)13)11-16-15-9-3-6(5-14)1-2-17(9)11/h1-4H
InChIKeyJVCKDXBLGQVUIB-UHFFFAOYSA-N
XLogP3.85
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.06
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393133
3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 103130033
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393093
3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393186
3-(3-bromo-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392943
3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393065
3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393115
3-(3-chloro-4-iodophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 103217881
3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392928
3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 55267420
3-(5-bromothiophen-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117144382
3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393137

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The IUPAC name of 3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (CID 105393103) is 3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is N#Cc1ccn2c(-c3cc(Br)c(Br)s3)nnc2c1.
What is the InChIKey of 3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The InChIKey is JVCKDXBLGQVUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br2N4S/c12-7-4-8(18-10(7)13)11-16-15-9-3-6(5-14)1-2-17(9)11/h1-4H.
What are the key properties of 3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile has a molecular weight of 384.06 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is sourced from PubChem (CID 105393103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).