3-amino-5-(5-bromofuran-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile

C14H8BrN3OS — CID 80523309

IUPAC3-amino-5-(5-bromofuran-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile
SMILESN#Cc1sc(-c2ccc(Br)o2)c(-c2cccnc2)c1N
InChIInChI=1S/C14H8BrN3OS/c15-11-4-3-9(19-11)14-12(8-2-1-5-18-7-8)13(17)10(6-16)20-14/h1-5,7H,17H2
InChIKeyACIVRWHIPNMADU-UHFFFAOYSA-N
MW346.21 g/mol
LogP4.29
Rot. Bonds2

About 3-amino-5-(5-bromofuran-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile

3-amino-5-(5-bromofuran-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile (PubChem CID 80523309) has the molecular formula C14H8BrN3OS and a molecular weight of 346.21 g/mol. Its IUPAC name is 3-amino-5-(5-bromofuran-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(5-bromofuran-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile
PubChem CID80523309
Molecular FormulaC14H8BrN3OS
Molecular Weight346.21 g/mol
Exact Mass344.96
IUPAC Name3-amino-5-(5-bromofuran-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile
SMILESN#Cc1sc(-c2ccc(Br)o2)c(-c2cccnc2)c1N
InChIInChI=1S/C14H8BrN3OS/c15-11-4-3-9(19-11)14-12(8-2-1-5-18-7-8)13(17)10(6-16)20-14/h1-5,7H,17H2
InChIKeyACIVRWHIPNMADU-UHFFFAOYSA-N
XLogP4.29
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(3-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile
CID 81125897
3-amino-5-(4-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile
CID 81125896
5-(5-bromofuran-2-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524267
3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile
CID 55038271
3-amino-6-phenyl-4-pyridin-3-ylthieno[2,3-b]pyridine-2-carbonitrile
CID 10664042
3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile
CID 80525488
3-amino-5-(5-methylfuran-3-yl)-4-phenylthiophene-2-carbonitrile
CID 114822825
3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80523124
3-(2,6-dibromophenyl)pyridine
CID 76539776
3-(5-bromo-4-chlorothiophen-2-yl)pyridine
CID 68843597
2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile
CID 82471501
1,2,5-trimethyl-4-pyridin-3-ylpyrrole-3-carbonitrile
CID 121495989

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(5-bromofuran-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(5-bromofuran-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile (CID 80523309) is 3-amino-5-(5-bromofuran-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(5-bromofuran-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(5-bromofuran-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile is N#Cc1sc(-c2ccc(Br)o2)c(-c2cccnc2)c1N.
What is the InChIKey of 3-amino-5-(5-bromofuran-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile?
The InChIKey is ACIVRWHIPNMADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrN3OS/c15-11-4-3-9(19-11)14-12(8-2-1-5-18-7-8)13(17)10(6-16)20-14/h1-5,7H,17H2.
What are the key properties of 3-amino-5-(5-bromofuran-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile?
3-amino-5-(5-bromofuran-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile has a molecular weight of 346.21 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(5-bromofuran-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile is sourced from PubChem (CID 80523309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).