3-bromopyridine-4-carbonitrile

C6H3BrN2 — CID 11074051

IUPAC3-bromopyridine-4-carbonitrile
SMILESN#Cc1ccncc1Br
InChIInChI=1S/C6H3BrN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H
InChIKeyVPDIXJCBBUZNPO-UHFFFAOYSA-N
MW183.01 g/mol
LogP1.72
Rot. Bonds

About 3-bromopyridine-4-carbonitrile

3-bromopyridine-4-carbonitrile (PubChem CID 11074051) has the molecular formula C6H3BrN2 and a molecular weight of 183.01 g/mol. Its IUPAC name is 3-bromopyridine-4-carbonitrile.

Molecular Properties

Compound Name3-bromopyridine-4-carbonitrile
PubChem CID11074051
Molecular FormulaC6H3BrN2
Molecular Weight183.01 g/mol
Exact Mass181.95
IUPAC Name3-bromopyridine-4-carbonitrile
SMILESN#Cc1ccncc1Br
InChIInChI=1S/C6H3BrN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H
InChIKeyVPDIXJCBBUZNPO-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 3-bromopyridine-4-carbonitrile?
The IUPAC name of 3-bromopyridine-4-carbonitrile (CID 11074051) is 3-bromopyridine-4-carbonitrile.
What is the SMILES notation for 3-bromopyridine-4-carbonitrile?
The canonical SMILES for 3-bromopyridine-4-carbonitrile is N#Cc1ccncc1Br.
What is the InChIKey of 3-bromopyridine-4-carbonitrile?
The InChIKey is VPDIXJCBBUZNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H.
What are the key properties of 3-bromopyridine-4-carbonitrile?
3-bromopyridine-4-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 3-bromopyridine-4-carbonitrile is sourced from PubChem (CID 11074051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).