2-amino-3-(7-bromopyrazolo[3,4-c]pyridin-2-yl)-2-methylpropanenitrile

C10H10BrN5 — CID 86641840

IUPAC2-amino-3-(7-bromopyrazolo[3,4-c]pyridin-2-yl)-2-methylpropanenitrile
SMILESCC(N)(C#N)Cn1cc2ccnc(Br)c2n1
InChIInChI=1S/C10H10BrN5/c1-10(13,5-12)6-16-4-7-2-3-14-9(11)8(7)15-16/h2-4H,6,13H2,1H3
InChIKeyRQZRMLSGCFBKIY-UHFFFAOYSA-N
MW280.13 g/mol
LogP1.43
Rot. Bonds2

About 2-amino-3-(7-bromopyrazolo[3,4-c]pyridin-2-yl)-2-methylpropanenitrile

2-amino-3-(7-bromopyrazolo[3,4-c]pyridin-2-yl)-2-methylpropanenitrile (PubChem CID 86641840) has the molecular formula C10H10BrN5 and a molecular weight of 280.13 g/mol. Its IUPAC name is 2-amino-3-(7-bromopyrazolo[3,4-c]pyridin-2-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-amino-3-(7-bromopyrazolo[3,4-c]pyridin-2-yl)-2-methylpropanenitrile
PubChem CID86641840
Molecular FormulaC10H10BrN5
Molecular Weight280.13 g/mol
Exact Mass279.01
IUPAC Name2-amino-3-(7-bromopyrazolo[3,4-c]pyridin-2-yl)-2-methylpropanenitrile
SMILESCC(N)(C#N)Cn1cc2ccnc(Br)c2n1
InChIInChI=1S/C10H10BrN5/c1-10(13,5-12)6-16-4-7-2-3-14-9(11)8(7)15-16/h2-4H,6,13H2,1H3
InChIKeyRQZRMLSGCFBKIY-UHFFFAOYSA-N
XLogP1.43
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(7-bromopyrazolo[3,4-c]pyridin-2-yl)-2-methylpropanenitrile?
The IUPAC name of 2-amino-3-(7-bromopyrazolo[3,4-c]pyridin-2-yl)-2-methylpropanenitrile (CID 86641840) is 2-amino-3-(7-bromopyrazolo[3,4-c]pyridin-2-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-amino-3-(7-bromopyrazolo[3,4-c]pyridin-2-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-amino-3-(7-bromopyrazolo[3,4-c]pyridin-2-yl)-2-methylpropanenitrile is CC(N)(C#N)Cn1cc2ccnc(Br)c2n1.
What is the InChIKey of 2-amino-3-(7-bromopyrazolo[3,4-c]pyridin-2-yl)-2-methylpropanenitrile?
The InChIKey is RQZRMLSGCFBKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5/c1-10(13,5-12)6-16-4-7-2-3-14-9(11)8(7)15-16/h2-4H,6,13H2,1H3.
What are the key properties of 2-amino-3-(7-bromopyrazolo[3,4-c]pyridin-2-yl)-2-methylpropanenitrile?
2-amino-3-(7-bromopyrazolo[3,4-c]pyridin-2-yl)-2-methylpropanenitrile has a molecular weight of 280.13 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(7-bromopyrazolo[3,4-c]pyridin-2-yl)-2-methylpropanenitrile is sourced from PubChem (CID 86641840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).