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

C8H3BrF2N2O — CID 130108997

IUPAC3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile
SMILESN#Cc1c(C(F)F)cnc(C=O)c1Br
InChIInChI=1S/C8H3BrF2N2O/c9-7-4(1-12)5(8(10)11)2-13-6(7)3-14/h2-3,8H
InChIKeyWQGSXHRJDNORIB-UHFFFAOYSA-N
MW261.03 g/mol
LogP2.47
Rot. Bonds2

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

3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile (PubChem CID 130108997) has the molecular formula C8H3BrF2N2O and a molecular weight of 261.03 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile.

Molecular Properties

Compound Name3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile
PubChem CID130108997
Molecular FormulaC8H3BrF2N2O
Molecular Weight261.03 g/mol
Exact Mass259.94
IUPAC Name3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile
SMILESN#Cc1c(C(F)F)cnc(C=O)c1Br
InChIInChI=1S/C8H3BrF2N2O/c9-7-4(1-12)5(8(10)11)2-13-6(7)3-14/h2-3,8H
InChIKeyWQGSXHRJDNORIB-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

2,3-dibromo-5-(difluoromethyl)pyridine-4-carbonitrile
CID 118833890
5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108998
3-bromo-5-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130068411
3-bromo-5-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130108704
3-bromo-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130108638
5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 130095219
3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
CID 130108736
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
CID 130109704
4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 118850612
3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile
CID 118822043
2-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile
CID 118997017
ethyl 3-bromo-4-cyano-5-(difluoromethyl)pyridine-2-carboxylate
CID 134677909

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile?
The IUPAC name of 3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile (CID 130108997) is 3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile.
What is the SMILES notation for 3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile?
The canonical SMILES for 3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile is N#Cc1c(C(F)F)cnc(C=O)c1Br.
What is the InChIKey of 3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile?
The InChIKey is WQGSXHRJDNORIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF2N2O/c9-7-4(1-12)5(8(10)11)2-13-6(7)3-14/h2-3,8H.
What are the key properties of 3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile?
3-bromo-5-(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 3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile is sourced from PubChem (CID 130108997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).