4-amino-6-bromopyridine-3-carbonitrile

C6H4BrN3 — CID 118811829

IUPAC4-amino-6-bromopyridine-3-carbonitrile
SMILESN#Cc1cnc(Br)cc1N
InChIInChI=1S/C6H4BrN3/c7-6-1-5(9)4(2-8)3-10-6/h1,3H,(H2,9,10)
InChIKeyOJJVCKKEUFHYLC-UHFFFAOYSA-N
MW198.02 g/mol
LogP1.30
Rot. Bonds

About 4-amino-6-bromopyridine-3-carbonitrile

4-amino-6-bromopyridine-3-carbonitrile (PubChem CID 118811829) has the molecular formula C6H4BrN3 and a molecular weight of 198.02 g/mol. Its IUPAC name is 4-amino-6-bromopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-bromopyridine-3-carbonitrile
PubChem CID118811829
Molecular FormulaC6H4BrN3
Molecular Weight198.02 g/mol
Exact Mass196.96
IUPAC Name4-amino-6-bromopyridine-3-carbonitrile
SMILESN#Cc1cnc(Br)cc1N
InChIInChI=1S/C6H4BrN3/c7-6-1-5(9)4(2-8)3-10-6/h1,3H,(H2,9,10)
InChIKeyOJJVCKKEUFHYLC-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

Computed Properties (RDKit)

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

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Related Compounds

4,6-dibromopyridine-3-carbonitrile
CID 118846664
4-amino-6-methoxypyridine-3-carbonitrile
CID 2786690
6-bromopyridine-3,4-diamine
CID 18788657
2-bromo-5-hydroxypyridine-4-carbonitrile
CID 118999081
4-amino-5-cyanopyridine-2-carbonyl chloride
CID 118829142
2-amino-5-bromopyridine-4-carbonitrile
CID 53440577
2-bromo-5-nitropyridine-4-carbonitrile
CID 119024945
5-(aminomethyl)-2-bromopyridin-4-amine
CID 130115993
5-amino-4-bromopyridine-2-carbonitrile
CID 130641471
5-amino-2-methylpyridine-4-carbonitrile
CID 82593829
4-amino-6-[4-(chloromethyl)pyrazol-1-yl]pyridine-3-carbonitrile
CID 152895451
2-[(3-amino-5-methyl-2-pyridinyl)amino]-5-bromobenzonitrile
CID 82702734

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-bromopyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-bromopyridine-3-carbonitrile (CID 118811829) is 4-amino-6-bromopyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-bromopyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-bromopyridine-3-carbonitrile is N#Cc1cnc(Br)cc1N.
What is the InChIKey of 4-amino-6-bromopyridine-3-carbonitrile?
The InChIKey is OJJVCKKEUFHYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3/c7-6-1-5(9)4(2-8)3-10-6/h1,3H,(H2,9,10).
What are the key properties of 4-amino-6-bromopyridine-3-carbonitrile?
4-amino-6-bromopyridine-3-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 4-amino-6-bromopyridine-3-carbonitrile is sourced from PubChem (CID 118811829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).