2-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile

C8H2BrF5N2 — CID 118997017

IUPAC2-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1c(C(F)F)cnc(Br)c1C(F)(F)F
InChIInChI=1S/C8H2BrF5N2/c9-6-5(8(12,13)14)3(1-15)4(2-16-6)7(10)11/h2,7H
InChIKeyWFUCSIUUJPQTEN-UHFFFAOYSA-N
MW301.01 g/mol
LogP3.67
Rot. Bonds1

About 2-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile

2-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile (PubChem CID 118997017) has the molecular formula C8H2BrF5N2 and a molecular weight of 301.01 g/mol. Its IUPAC name is 2-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile
PubChem CID118997017
Molecular FormulaC8H2BrF5N2
Molecular Weight301.01 g/mol
Exact Mass299.93
IUPAC Name2-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1c(C(F)F)cnc(Br)c1C(F)(F)F
InChIInChI=1S/C8H2BrF5N2/c9-6-5(8(12,13)14)3(1-15)4(2-16-6)7(10)11/h2,7H
InChIKeyWFUCSIUUJPQTEN-UHFFFAOYSA-N
XLogP3.67
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.01
LogP ≤ 53.67
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

2,3-dibromo-5-(difluoromethyl)pyridine-4-carbonitrile
CID 118833890
2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carbonitrile
CID 118990949
3-bromo-5-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130108704
3-bromo-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130108638
4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118829842
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 118990855
2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130098869
5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 130077417
3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108997
4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 118850612
2-[2-bromo-3-cyano-5-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119024525
5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130101640

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 2-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile (CID 118997017) is 2-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile is N#Cc1c(C(F)F)cnc(Br)c1C(F)(F)F.
What is the InChIKey of 2-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile?
The InChIKey is WFUCSIUUJPQTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrF5N2/c9-6-5(8(12,13)14)3(1-15)4(2-16-6)7(10)11/h2,7H.
What are the key properties of 2-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile?
2-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile has a molecular weight of 301.01 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 118997017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).