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

C8H3BrF2N2O — CID 130108998

IUPAC5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile
SMILESN#Cc1c(Br)cnc(C=O)c1C(F)F
InChIInChI=1S/C8H3BrF2N2O/c9-5-2-13-6(3-14)7(8(10)11)4(5)1-12/h2-3,8H
InChIKeyNFWRXHYPEXIGNB-UHFFFAOYSA-N
MW261.03 g/mol
LogP2.47
Rot. Bonds2

About 5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile

5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile (PubChem CID 130108998) has the molecular formula C8H3BrF2N2O and a molecular weight of 261.03 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile
PubChem CID130108998
Molecular FormulaC8H3BrF2N2O
Molecular Weight261.03 g/mol
Exact Mass259.94
IUPAC Name5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile
SMILESN#Cc1c(Br)cnc(C=O)c1C(F)F
InChIInChI=1S/C8H3BrF2N2O/c9-5-2-13-6(3-14)7(8(10)11)4(5)1-12/h2-3,8H
InChIKeyNFWRXHYPEXIGNB-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-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile
CID 118822043
3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108997
2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130098869
4-(difluoromethyl)-6-formyl-5-hydroxypyridine-3-carbonitrile
CID 130076844
5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile
CID 130103617
5-(bromomethyl)-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile
CID 130078966
4-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 118844660
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
CID 130109704
5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile
CID 130108575
5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130109187
4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106249
2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile
CID 130079122

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile?
The IUPAC name of 5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile (CID 130108998) is 5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile?
The canonical SMILES for 5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile is N#Cc1c(Br)cnc(C=O)c1C(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile?
The InChIKey is NFWRXHYPEXIGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF2N2O/c9-5-2-13-6(3-14)7(8(10)11)4(5)1-12/h2-3,8H.
What are the key properties of 5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile?
5-bromo-3-(difluoromethyl)-2-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 5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile is sourced from PubChem (CID 130108998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).