5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile

C12H7BrFN3 — CID 55057972

IUPAC5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile
SMILESN#Cc1cc(Nc2ccc(Br)cn2)ccc1F
InChIInChI=1S/C12H7BrFN3/c13-9-1-4-12(16-7-9)17-10-2-3-11(14)8(5-10)6-15/h1-5,7H,(H,16,17)
InChIKeyQBGSDEPJRBDTRH-UHFFFAOYSA-N
MW292.11 g/mol
LogP3.60
Rot. Bonds2

About 5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile

5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile (PubChem CID 55057972) has the molecular formula C12H7BrFN3 and a molecular weight of 292.11 g/mol. Its IUPAC name is 5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile
PubChem CID55057972
Molecular FormulaC12H7BrFN3
Molecular Weight292.11 g/mol
Exact Mass290.98
IUPAC Name5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile
SMILESN#Cc1cc(Nc2ccc(Br)cn2)ccc1F
InChIInChI=1S/C12H7BrFN3/c13-9-1-4-12(16-7-9)17-10-2-3-11(14)8(5-10)6-15/h1-5,7H,(H,16,17)
InChIKeyQBGSDEPJRBDTRH-UHFFFAOYSA-N
XLogP3.60
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile?
The IUPAC name of 5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile (CID 55057972) is 5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile?
The canonical SMILES for 5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile is N#Cc1cc(Nc2ccc(Br)cn2)ccc1F.
What is the InChIKey of 5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile?
The InChIKey is QBGSDEPJRBDTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3/c13-9-1-4-12(16-7-9)17-10-2-3-11(14)8(5-10)6-15/h1-5,7H,(H,16,17).
What are the key properties of 5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile?
5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile has a molecular weight of 292.11 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile is sourced from PubChem (CID 55057972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).