4-bromopyridine-3-carbonitrile

C6H3BrN2 — CID 22329522

IUPAC4-bromopyridine-3-carbonitrile
SMILESN#Cc1cnccc1Br
InChIInChI=1S/C6H3BrN2/c7-6-1-2-9-4-5(6)3-8/h1-2,4H
InChIKeyDMQBJRMKGVMOHX-UHFFFAOYSA-N
MW183.01 g/mol
LogP1.72
Rot. Bonds

About 4-bromopyridine-3-carbonitrile

4-bromopyridine-3-carbonitrile (PubChem CID 22329522) has the molecular formula C6H3BrN2 and a molecular weight of 183.01 g/mol. Its IUPAC name is 4-bromopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromopyridine-3-carbonitrile
PubChem CID22329522
Molecular FormulaC6H3BrN2
Molecular Weight183.01 g/mol
Exact Mass181.95
IUPAC Name4-bromopyridine-3-carbonitrile
SMILESN#Cc1cnccc1Br
InChIInChI=1S/C6H3BrN2/c7-6-1-2-9-4-5(6)3-8/h1-2,4H
InChIKeyDMQBJRMKGVMOHX-UHFFFAOYSA-N
XLogP1.72
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.01
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromopyridine-3-carbonitrile?
The IUPAC name of 4-bromopyridine-3-carbonitrile (CID 22329522) is 4-bromopyridine-3-carbonitrile.
What is the SMILES notation for 4-bromopyridine-3-carbonitrile?
The canonical SMILES for 4-bromopyridine-3-carbonitrile is N#Cc1cnccc1Br.
What is the InChIKey of 4-bromopyridine-3-carbonitrile?
The InChIKey is DMQBJRMKGVMOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2/c7-6-1-2-9-4-5(6)3-8/h1-2,4H.
What are the key properties of 4-bromopyridine-3-carbonitrile?
4-bromopyridine-3-carbonitrile has a molecular weight of 183.01 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopyridine-3-carbonitrile is sourced from PubChem (CID 22329522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).