6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile

C8H4Br2F2N2 — CID 130108796

IUPAC6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(Br)nc(C(F)F)c1CBr
InChIInChI=1S/C8H4Br2F2N2/c9-2-5-4(3-13)1-6(10)14-7(5)8(11)12/h1,8H,2H2
InChIKeyLKVIFXXHEQKISB-UHFFFAOYSA-N
MW325.94 g/mol
LogP3.55
Rot. Bonds2

About 6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile

6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile (PubChem CID 130108796) has the molecular formula C8H4Br2F2N2 and a molecular weight of 325.94 g/mol. Its IUPAC name is 6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
PubChem CID130108796
Molecular FormulaC8H4Br2F2N2
Molecular Weight325.94 g/mol
Exact Mass323.87
IUPAC Name6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(Br)nc(C(F)F)c1CBr
InChIInChI=1S/C8H4Br2F2N2/c9-2-5-4(3-13)1-6(10)14-7(5)8(11)12/h1,8H,2H2
InChIKeyLKVIFXXHEQKISB-UHFFFAOYSA-N
XLogP3.55
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.94
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[5-(bromomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106578
4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130108825
6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130109159
6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134677832
5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 130077346
5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130078886
5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 133107081
6-bromo-2-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130108627
6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070176
6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119008379
6-bromo-4-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine
CID 130108046
2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118826974

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile (CID 130108796) is 6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile is N#Cc1cc(Br)nc(C(F)F)c1CBr.
What is the InChIKey of 6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile?
The InChIKey is LKVIFXXHEQKISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F2N2/c9-2-5-4(3-13)1-6(10)14-7(5)8(11)12/h1,8H,2H2.
What are the key properties of 6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile?
6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile has a molecular weight of 325.94 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 130108796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).