6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile

C9H4BrF2N3 — CID 119010650

IUPAC6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#CCc1c(C#N)cnc(Br)c1C(F)F
InChIInChI=1S/C9H4BrF2N3/c10-8-7(9(11)12)6(1-2-13)5(3-14)4-15-8/h4,9H,1H2
InChIKeyPELVOACWFMNCPB-UHFFFAOYSA-N
MW272.05 g/mol
LogP2.72
Rot. Bonds2

About 6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile

6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 119010650) has the molecular formula C9H4BrF2N3 and a molecular weight of 272.05 g/mol. Its IUPAC name is 6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID119010650
Molecular FormulaC9H4BrF2N3
Molecular Weight272.05 g/mol
Exact Mass270.96
IUPAC Name6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#CCc1c(C#N)cnc(Br)c1C(F)F
InChIInChI=1S/C9H4BrF2N3/c10-8-7(9(11)12)6(1-2-13)5(3-14)4-15-8/h4,9H,1H2
InChIKeyPELVOACWFMNCPB-UHFFFAOYSA-N
XLogP2.72
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 134675025
4-(cyanomethyl)-5-(difluoromethyl)-6-nitropyridine-3-carbonitrile
CID 133107364
2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070050
2-[2-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119003826
6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 130108625
6-bromo-5-chloro-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130107758
6-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carbonitrile
CID 119008821
2-[2-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 119011505
2-[2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070216
2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130098869
5-(bromomethyl)-4-(cyanomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130078881
5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 165344407

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile (CID 119010650) is 6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile is N#CCc1c(C#N)cnc(Br)c1C(F)F.
What is the InChIKey of 6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is PELVOACWFMNCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF2N3/c10-8-7(9(11)12)6(1-2-13)5(3-14)4-15-8/h4,9H,1H2.
What are the key properties of 6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile has a molecular weight of 272.05 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 119010650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).