2-amino-5-bromopyridine-4-carbonitrile

C6H4BrN3 — CID 53440577

IUPAC2-amino-5-bromopyridine-4-carbonitrile
SMILESN#Cc1cc(N)ncc1Br
InChIInChI=1S/C6H4BrN3/c7-5-3-10-6(9)1-4(5)2-8/h1,3H,(H2,9,10)
InChIKeyWEMPYBBWDHFMFG-UHFFFAOYSA-N
MW198.02 g/mol
LogP1.30
Rot. Bonds

About 2-amino-5-bromopyridine-4-carbonitrile

2-amino-5-bromopyridine-4-carbonitrile (PubChem CID 53440577) has the molecular formula C6H4BrN3 and a molecular weight of 198.02 g/mol. Its IUPAC name is 2-amino-5-bromopyridine-4-carbonitrile.

Molecular Properties

Compound Name2-amino-5-bromopyridine-4-carbonitrile
PubChem CID53440577
Molecular FormulaC6H4BrN3
Molecular Weight198.02 g/mol
Exact Mass196.96
IUPAC Name2-amino-5-bromopyridine-4-carbonitrile
SMILESN#Cc1cc(N)ncc1Br
InChIInChI=1S/C6H4BrN3/c7-5-3-10-6(9)1-4(5)2-8/h1,3H,(H2,9,10)
InChIKeyWEMPYBBWDHFMFG-UHFFFAOYSA-N
XLogP1.30
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.02
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromopyridine-4-carbonitrile?
The IUPAC name of 2-amino-5-bromopyridine-4-carbonitrile (CID 53440577) is 2-amino-5-bromopyridine-4-carbonitrile.
What is the SMILES notation for 2-amino-5-bromopyridine-4-carbonitrile?
The canonical SMILES for 2-amino-5-bromopyridine-4-carbonitrile is N#Cc1cc(N)ncc1Br.
What is the InChIKey of 2-amino-5-bromopyridine-4-carbonitrile?
The InChIKey is WEMPYBBWDHFMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3/c7-5-3-10-6(9)1-4(5)2-8/h1,3H,(H2,9,10).
What are the key properties of 2-amino-5-bromopyridine-4-carbonitrile?
2-amino-5-bromopyridine-4-carbonitrile has a molecular weight of 198.02 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromopyridine-4-carbonitrile is sourced from PubChem (CID 53440577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).