5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile

C11H9BrN4S — CID 103468821

IUPAC5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCc2sccc2Br)c(N)c1
InChIInChI=1S/C11H9BrN4S/c12-8-1-2-17-10(8)6-16-11-9(14)3-7(4-13)5-15-11/h1-3,5H,6,14H2,(H,15,16)
InChIKeyRIKQORWOWCPEBO-UHFFFAOYSA-N
MW309.19 g/mol
LogP2.97
Rot. Bonds3

About 5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile

5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 103468821) has the molecular formula C11H9BrN4S and a molecular weight of 309.19 g/mol. Its IUPAC name is 5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile
PubChem CID103468821
Molecular FormulaC11H9BrN4S
Molecular Weight309.19 g/mol
Exact Mass307.97
IUPAC Name5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCc2sccc2Br)c(N)c1
InChIInChI=1S/C11H9BrN4S/c12-8-1-2-17-10(8)6-16-11-9(14)3-7(4-13)5-15-11/h1-3,5H,6,14H2,(H,15,16)
InChIKeyRIKQORWOWCPEBO-UHFFFAOYSA-N
XLogP2.97
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile
CID 103468421
5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468530
2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile
CID 83076266
5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 103467321
4-[(3-bromothiophen-2-yl)methylamino]-3-fluorobenzonitrile
CID 78916140
methyl 5-amino-2-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carboxylate
CID 114047294
5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
CID 103469344
2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine
CID 80652753
5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468425
2-N-[(3-bromothiophen-2-yl)methyl]-4-chlorobenzene-1,2-diamine
CID 115469151
N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 78983980
5-amino-6-(cyclobutylmethylamino)pyridine-3-carbonitrile
CID 103467531

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile (CID 103468821) is 5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile is N#Cc1cnc(NCc2sccc2Br)c(N)c1.
What is the InChIKey of 5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is RIKQORWOWCPEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4S/c12-8-1-2-17-10(8)6-16-11-9(14)3-7(4-13)5-15-11/h1-3,5H,6,14H2,(H,15,16).
What are the key properties of 5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile?
5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 309.19 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 103468821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).