3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile

C8H4BrF3N2 — CID 130076091

IUPAC3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile
SMILESN#Cc1c(F)cnc(C(F)F)c1CBr
InChIInChI=1S/C8H4BrF3N2/c9-1-4-5(2-13)6(10)3-14-7(4)8(11)12/h3,8H,1H2
InChIKeyVPONKEJYLQDDBJ-UHFFFAOYSA-N
MW265.03 g/mol
LogP2.92
Rot. Bonds2

About 3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile

3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile (PubChem CID 130076091) has the molecular formula C8H4BrF3N2 and a molecular weight of 265.03 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile
PubChem CID130076091
Molecular FormulaC8H4BrF3N2
Molecular Weight265.03 g/mol
Exact Mass263.95
IUPAC Name3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile
SMILESN#Cc1c(F)cnc(C(F)F)c1CBr
InChIInChI=1S/C8H4BrF3N2/c9-1-4-5(2-13)6(10)3-14-7(4)8(11)12/h3,8H,1H2
InChIKeyVPONKEJYLQDDBJ-UHFFFAOYSA-N
XLogP2.92
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.03
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130078912
4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130108825
2-[5-(bromomethyl)-6-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 130081776
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile
CID 130075915
5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071152
5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 133107081
2-[4-amino-5-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130107143
5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile
CID 130108575
[4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
CID 118800641
5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130071262
3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071103
2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile
CID 118822625

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile?
The IUPAC name of 3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile (CID 130076091) is 3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile.
What is the SMILES notation for 3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile?
The canonical SMILES for 3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile is N#Cc1c(F)cnc(C(F)F)c1CBr.
What is the InChIKey of 3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile?
The InChIKey is VPONKEJYLQDDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2/c9-1-4-5(2-13)6(10)3-14-7(4)8(11)12/h3,8H,1H2.
What are the key properties of 3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile?
3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile has a molecular weight of 265.03 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile is sourced from PubChem (CID 130076091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).