6-[(4-bromo-1H-pyrrol-2-yl)methylamino]pyrazine-2-carbonitrile

C10H8BrN5 — CID 166367555

IUPAC6-[(4-bromo-1H-pyrrol-2-yl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cncc(NCc2cc(Br)c[nH]2)n1
InChIInChI=1S/C10H8BrN5/c11-7-1-8(14-3-7)5-15-10-6-13-4-9(2-12)16-10/h1,3-4,6,14H,5H2,(H,15,16)
InChIKeyAYHXLQBRCSULBC-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.05
Rot. Bonds3

About 6-[(4-bromo-1H-pyrrol-2-yl)methylamino]pyrazine-2-carbonitrile

6-[(4-bromo-1H-pyrrol-2-yl)methylamino]pyrazine-2-carbonitrile (PubChem CID 166367555) has the molecular formula C10H8BrN5 and a molecular weight of 278.11 g/mol. Its IUPAC name is 6-[(4-bromo-1H-pyrrol-2-yl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-[(4-bromo-1H-pyrrol-2-yl)methylamino]pyrazine-2-carbonitrile
PubChem CID166367555
Molecular FormulaC10H8BrN5
Molecular Weight278.11 g/mol
Exact Mass277.00
IUPAC Name6-[(4-bromo-1H-pyrrol-2-yl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cncc(NCc2cc(Br)c[nH]2)n1
InChIInChI=1S/C10H8BrN5/c11-7-1-8(14-3-7)5-15-10-6-13-4-9(2-12)16-10/h1,3-4,6,14H,5H2,(H,15,16)
InChIKeyAYHXLQBRCSULBC-UHFFFAOYSA-N
XLogP2.05
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-1H-pyrrol-2-yl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 6-[(4-bromo-1H-pyrrol-2-yl)methylamino]pyrazine-2-carbonitrile (CID 166367555) is 6-[(4-bromo-1H-pyrrol-2-yl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 6-[(4-bromo-1H-pyrrol-2-yl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 6-[(4-bromo-1H-pyrrol-2-yl)methylamino]pyrazine-2-carbonitrile is N#Cc1cncc(NCc2cc(Br)c[nH]2)n1.
What is the InChIKey of 6-[(4-bromo-1H-pyrrol-2-yl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is AYHXLQBRCSULBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5/c11-7-1-8(14-3-7)5-15-10-6-13-4-9(2-12)16-10/h1,3-4,6,14H,5H2,(H,15,16).
What are the key properties of 6-[(4-bromo-1H-pyrrol-2-yl)methylamino]pyrazine-2-carbonitrile?
6-[(4-bromo-1H-pyrrol-2-yl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 278.11 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-1H-pyrrol-2-yl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 166367555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).