2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile

C7H2Br2F2N2 — CID 130098869

IUPAC2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(Br)ncc(Br)c1C(F)F
InChIInChI=1S/C7H2Br2F2N2/c8-4-2-13-6(9)3(1-12)5(4)7(10)11/h2,7H
InChIKeyNYMGCLUMGNKPLO-UHFFFAOYSA-N
MW311.91 g/mol
LogP3.42
Rot. Bonds1

About 2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile

2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 130098869) has the molecular formula C7H2Br2F2N2 and a molecular weight of 311.91 g/mol. Its IUPAC name is 2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID130098869
Molecular FormulaC7H2Br2F2N2
Molecular Weight311.91 g/mol
Exact Mass309.86
IUPAC Name2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(Br)ncc(Br)c1C(F)F
InChIInChI=1S/C7H2Br2F2N2/c8-4-2-13-6(9)3(1-12)5(4)7(10)11/h2,7H
InChIKeyNYMGCLUMGNKPLO-UHFFFAOYSA-N
XLogP3.42
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.91
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130108787
6-bromo-5-cyano-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 118998250
5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130109187
5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130101640
4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118829842
2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carbonitrile
CID 118990949
2,3-dibromo-5-(difluoromethyl)pyridine-4-carbonitrile
CID 118833890
5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108998
5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile
CID 130108575
2-[2-bromo-3-cyano-5-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119024525
6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119010650
5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130108860

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile (CID 130098869) is 2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile is N#Cc1c(Br)ncc(Br)c1C(F)F.
What is the InChIKey of 2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is NYMGCLUMGNKPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br2F2N2/c8-4-2-13-6(9)3(1-12)5(4)7(10)11/h2,7H.
What are the key properties of 2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile?
2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile has a molecular weight of 311.91 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130098869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).