2-(3-amino-4-bromopyrazol-1-yl)-6-fluorobenzonitrile

C10H6BrFN4 — CID 61177740

IUPAC2-(3-amino-4-bromopyrazol-1-yl)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1-n1cc(Br)c(N)n1
InChIInChI=1S/C10H6BrFN4/c11-7-5-16(15-10(7)14)9-3-1-2-8(12)6(9)4-13/h1-3,5H,(H2,14,15)
InChIKeyKNJXKHGTZSMLPT-UHFFFAOYSA-N
MW281.09 g/mol
LogP2.23
Rot. Bonds1

About 2-(3-amino-4-bromopyrazol-1-yl)-6-fluorobenzonitrile

2-(3-amino-4-bromopyrazol-1-yl)-6-fluorobenzonitrile (PubChem CID 61177740) has the molecular formula C10H6BrFN4 and a molecular weight of 281.09 g/mol. Its IUPAC name is 2-(3-amino-4-bromopyrazol-1-yl)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(3-amino-4-bromopyrazol-1-yl)-6-fluorobenzonitrile
PubChem CID61177740
Molecular FormulaC10H6BrFN4
Molecular Weight281.09 g/mol
Exact Mass279.98
IUPAC Name2-(3-amino-4-bromopyrazol-1-yl)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1-n1cc(Br)c(N)n1
InChIInChI=1S/C10H6BrFN4/c11-7-5-16(15-10(7)14)9-3-1-2-8(12)6(9)4-13/h1-3,5H,(H2,14,15)
InChIKeyKNJXKHGTZSMLPT-UHFFFAOYSA-N
XLogP2.23
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.09
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-bromopyrazol-1-yl)-6-fluorobenzonitrile?
The IUPAC name of 2-(3-amino-4-bromopyrazol-1-yl)-6-fluorobenzonitrile (CID 61177740) is 2-(3-amino-4-bromopyrazol-1-yl)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(3-amino-4-bromopyrazol-1-yl)-6-fluorobenzonitrile?
The canonical SMILES for 2-(3-amino-4-bromopyrazol-1-yl)-6-fluorobenzonitrile is N#Cc1c(F)cccc1-n1cc(Br)c(N)n1.
What is the InChIKey of 2-(3-amino-4-bromopyrazol-1-yl)-6-fluorobenzonitrile?
The InChIKey is KNJXKHGTZSMLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN4/c11-7-5-16(15-10(7)14)9-3-1-2-8(12)6(9)4-13/h1-3,5H,(H2,14,15).
What are the key properties of 2-(3-amino-4-bromopyrazol-1-yl)-6-fluorobenzonitrile?
2-(3-amino-4-bromopyrazol-1-yl)-6-fluorobenzonitrile has a molecular weight of 281.09 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-bromopyrazol-1-yl)-6-fluorobenzonitrile is sourced from PubChem (CID 61177740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).