3-bromo-2-(difluoromethyl)-6-formylpyridine-4-carbonitrile

C8H3BrF2N2O — CID 130108996

IUPAC3-bromo-2-(difluoromethyl)-6-formylpyridine-4-carbonitrile
SMILESN#Cc1cc(C=O)nc(C(F)F)c1Br
InChIInChI=1S/C8H3BrF2N2O/c9-6-4(2-12)1-5(3-14)13-7(6)8(10)11/h1,3,8H
InChIKeyLWOGWOOXQDURLZ-UHFFFAOYSA-N
MW261.03 g/mol
LogP2.47
Rot. Bonds2

About 3-bromo-2-(difluoromethyl)-6-formylpyridine-4-carbonitrile

3-bromo-2-(difluoromethyl)-6-formylpyridine-4-carbonitrile (PubChem CID 130108996) has the molecular formula C8H3BrF2N2O and a molecular weight of 261.03 g/mol. Its IUPAC name is 3-bromo-2-(difluoromethyl)-6-formylpyridine-4-carbonitrile.

Molecular Properties

Compound Name3-bromo-2-(difluoromethyl)-6-formylpyridine-4-carbonitrile
PubChem CID130108996
Molecular FormulaC8H3BrF2N2O
Molecular Weight261.03 g/mol
Exact Mass259.94
IUPAC Name3-bromo-2-(difluoromethyl)-6-formylpyridine-4-carbonitrile
SMILESN#Cc1cc(C=O)nc(C(F)F)c1Br
InChIInChI=1S/C8H3BrF2N2O/c9-6-4(2-12)1-5(3-14)13-7(6)8(10)11/h1,3,8H
InChIKeyLWOGWOOXQDURLZ-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

2-(difluoromethyl)-3-fluoro-6-formylpyridine-4-carbonitrile
CID 130076245
3-bromo-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130108571
6-amino-3-bromo-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130101612
2-chloro-6-(difluoromethyl)-5-formylpyridine-3-carbonitrile
CID 118999833
3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 130108994
2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106404
2-(difluoromethyl)-3-formyl-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 133106254
5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075269
6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile
CID 130078756
6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118825680
6-amino-5-(difluoromethyl)-2-formylpyridine-3-carbonitrile
CID 119001249
6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119008379

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(difluoromethyl)-6-formylpyridine-4-carbonitrile?
The IUPAC name of 3-bromo-2-(difluoromethyl)-6-formylpyridine-4-carbonitrile (CID 130108996) is 3-bromo-2-(difluoromethyl)-6-formylpyridine-4-carbonitrile.
What is the SMILES notation for 3-bromo-2-(difluoromethyl)-6-formylpyridine-4-carbonitrile?
The canonical SMILES for 3-bromo-2-(difluoromethyl)-6-formylpyridine-4-carbonitrile is N#Cc1cc(C=O)nc(C(F)F)c1Br.
What is the InChIKey of 3-bromo-2-(difluoromethyl)-6-formylpyridine-4-carbonitrile?
The InChIKey is LWOGWOOXQDURLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF2N2O/c9-6-4(2-12)1-5(3-14)13-7(6)8(10)11/h1,3,8H.
What are the key properties of 3-bromo-2-(difluoromethyl)-6-formylpyridine-4-carbonitrile?
3-bromo-2-(difluoromethyl)-6-formylpyridine-4-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-2-(difluoromethyl)-6-formylpyridine-4-carbonitrile is sourced from PubChem (CID 130108996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).