3-bromo-6-fluoropyridine-2-carbonitrile

C6H2BrFN2 — CID 84669802

IUPAC3-bromo-6-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(F)ccc1Br
InChIInChI=1S/C6H2BrFN2/c7-4-1-2-6(8)10-5(4)3-9/h1-2H
InChIKeyCDOGLNDZTGQNPR-UHFFFAOYSA-N
MW201.00 g/mol
LogP1.85
Rot. Bonds

About 3-bromo-6-fluoropyridine-2-carbonitrile

3-bromo-6-fluoropyridine-2-carbonitrile (PubChem CID 84669802) has the molecular formula C6H2BrFN2 and a molecular weight of 201.00 g/mol. Its IUPAC name is 3-bromo-6-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name3-bromo-6-fluoropyridine-2-carbonitrile
PubChem CID84669802
Molecular FormulaC6H2BrFN2
Molecular Weight201.00 g/mol
Exact Mass199.94
IUPAC Name3-bromo-6-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(F)ccc1Br
InChIInChI=1S/C6H2BrFN2/c7-4-1-2-6(8)10-5(4)3-9/h1-2H
InChIKeyCDOGLNDZTGQNPR-UHFFFAOYSA-N
XLogP1.85
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.00
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-3-bromopyridine-2-carbonitrile
CID 53402956
6-fluoro-3-methylpyridine-2-carbonitrile
CID 104546694
3-bromo-6-ethylpyridine-2-carbonitrile
CID 151363520
6-bromo-3-fluoropyridine-2-carbonitrile
CID 86333894
3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 130108569
(3-bromo-6-fluoro-2-pyridinyl)methanamine
CID 104546703
3-bromo-6-(oxolan-3-yl)pyridine-2-carbonitrile
CID 172993518
3,6-dibromo-2-fluorobenzonitrile
CID 50997948
5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130098862
6-bromo-3-fluoropyrazine-2-carbonitrile
CID 154733386
7-bromo-2-fluoroquinolin-8-ol
CID 141280173
3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070896

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoropyridine-2-carbonitrile?
The IUPAC name of 3-bromo-6-fluoropyridine-2-carbonitrile (CID 84669802) is 3-bromo-6-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 3-bromo-6-fluoropyridine-2-carbonitrile?
The canonical SMILES for 3-bromo-6-fluoropyridine-2-carbonitrile is N#Cc1nc(F)ccc1Br.
What is the InChIKey of 3-bromo-6-fluoropyridine-2-carbonitrile?
The InChIKey is CDOGLNDZTGQNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrFN2/c7-4-1-2-6(8)10-5(4)3-9/h1-2H.
What are the key properties of 3-bromo-6-fluoropyridine-2-carbonitrile?
3-bromo-6-fluoropyridine-2-carbonitrile has a molecular weight of 201.00 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 84669802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).