3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile

C8H3BrF2N2O — CID 130108994

IUPAC3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)F)c(C=O)cc1Br
InChIInChI=1S/C8H3BrF2N2O/c9-5-1-4(3-14)7(8(10)11)13-6(5)2-12/h1,3,8H
InChIKeyMJQKSKIUZAMZMQ-UHFFFAOYSA-N
MW261.03 g/mol
LogP2.47
Rot. Bonds2

About 3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile

3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile (PubChem CID 130108994) has the molecular formula C8H3BrF2N2O and a molecular weight of 261.03 g/mol. Its IUPAC name is 3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile
PubChem CID130108994
Molecular FormulaC8H3BrF2N2O
Molecular Weight261.03 g/mol
Exact Mass259.94
IUPAC Name3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)F)c(C=O)cc1Br
InChIInChI=1S/C8H3BrF2N2O/c9-5-1-4(3-14)7(8(10)11)13-6(5)2-12/h1,3,8H
InChIKeyMJQKSKIUZAMZMQ-UHFFFAOYSA-N
XLogP2.47
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.03
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 130108569
3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130108635
5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130109029
2-chloro-6-(difluoromethyl)-5-formylpyridine-3-carbonitrile
CID 118999833
5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile
CID 130077549
2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 119014492
5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130098862
5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134667505
3-(bromomethyl)-6-(difluoromethyl)-4-formylpyridine-2-carbonitrile
CID 130078956
3-bromo-2-(difluoromethyl)-6-formylpyridine-4-carbonitrile
CID 130108996
6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 119014251
3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118990957

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile?
The IUPAC name of 3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile (CID 130108994) is 3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile.
What is the SMILES notation for 3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile?
The canonical SMILES for 3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile is N#Cc1nc(C(F)F)c(C=O)cc1Br.
What is the InChIKey of 3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile?
The InChIKey is MJQKSKIUZAMZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF2N2O/c9-5-1-4(3-14)7(8(10)11)13-6(5)2-12/h1,3,8H.
What are the key properties of 3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile?
3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile has a molecular weight of 261.03 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile is sourced from PubChem (CID 130108994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).