5-amino-4-bromopyridine-2-carbonitrile

C6H4BrN3 — CID 130641471

IUPAC5-amino-4-bromopyridine-2-carbonitrile
SMILESN#Cc1cc(Br)c(N)cn1
InChIInChI=1S/C6H4BrN3/c7-5-1-4(2-8)10-3-6(5)9/h1,3H,9H2
InChIKeyYBNVKSZCOKKYRH-UHFFFAOYSA-N
MW198.02 g/mol
LogP1.30
Rot. Bonds

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

5-amino-4-bromopyridine-2-carbonitrile (PubChem CID 130641471) has the molecular formula C6H4BrN3 and a molecular weight of 198.02 g/mol. Its IUPAC name is 5-amino-4-bromopyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-4-bromopyridine-2-carbonitrile
PubChem CID130641471
Molecular FormulaC6H4BrN3
Molecular Weight198.02 g/mol
Exact Mass196.96
IUPAC Name5-amino-4-bromopyridine-2-carbonitrile
SMILESN#Cc1cc(Br)c(N)cn1
InChIInChI=1S/C6H4BrN3/c7-5-1-4(2-8)10-3-6(5)9/h1,3H,9H2
InChIKeyYBNVKSZCOKKYRH-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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Related Compounds

4,5-dibromopyridine-2-carbonitrile
CID 118846548
5-amino-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130094598
4-amino-5-ethylpyridine-2-carbonitrile
CID 126485327
4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118844697
3-amino-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile
CID 121232183
2-amino-5-bromopyridine-4-carbonitrile
CID 53440577
4-amino-6-bromopyridine-3-carbonitrile
CID 118811829
6-amino-5-bromopyridine-2-carbonitrile
CID 55252878
5-amino-4-bromo-2-hydroxybenzonitrile
CID 131543727
4-chloro-5-methylpyridine-2-carbonitrile
CID 75422082
4-chloro-5-hydroxypyridine-2-carbonitrile
CID 118816863
5-amino-4-bromo-2-fluorobenzonitrile
CID 53415061

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromopyridine-2-carbonitrile?
The IUPAC name of 5-amino-4-bromopyridine-2-carbonitrile (CID 130641471) is 5-amino-4-bromopyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-4-bromopyridine-2-carbonitrile?
The canonical SMILES for 5-amino-4-bromopyridine-2-carbonitrile is N#Cc1cc(Br)c(N)cn1.
What is the InChIKey of 5-amino-4-bromopyridine-2-carbonitrile?
The InChIKey is YBNVKSZCOKKYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3/c7-5-1-4(2-8)10-3-6(5)9/h1,3H,9H2.
What are the key properties of 5-amino-4-bromopyridine-2-carbonitrile?
5-amino-4-bromopyridine-2-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 5-amino-4-bromopyridine-2-carbonitrile is sourced from PubChem (CID 130641471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).