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

C9H4BrF2N3 — CID 119012187

IUPAC2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#CCc1nc(Br)c(C#N)cc1C(F)F
InChIInChI=1S/C9H4BrF2N3/c10-8-5(4-14)3-6(9(11)12)7(15-8)1-2-13/h3,9H,1H2
InChIKeyDNTXESMOBLUAMK-UHFFFAOYSA-N
MW272.05 g/mol
LogP2.72
Rot. Bonds2

About 2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile

2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 119012187) has the molecular formula C9H4BrF2N3 and a molecular weight of 272.05 g/mol. Its IUPAC name is 2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID119012187
Molecular FormulaC9H4BrF2N3
Molecular Weight272.05 g/mol
Exact Mass270.96
IUPAC Name2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#CCc1nc(Br)c(C#N)cc1C(F)F
InChIInChI=1S/C9H4BrF2N3/c10-8-5(4-14)3-6(9(11)12)7(15-8)1-2-13/h3,9H,1H2
InChIKeyDNTXESMOBLUAMK-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

2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119006901
2-[6-bromo-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 119018638
2-[6-bromo-5-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 119005589
2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130102010
2-[6-chloro-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 118999391
2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104127
2-[5-amino-3-(difluoromethyl)-6-nitro-2-pyridinyl]acetonitrile
CID 130106916
2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119021941
2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 119005828
2-(bromomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile
CID 118815705
2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile
CID 119018233
6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130071234

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile (CID 119012187) is 2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile is N#CCc1nc(Br)c(C#N)cc1C(F)F.
What is the InChIKey of 2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is DNTXESMOBLUAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF2N3/c10-8-5(4-14)3-6(9(11)12)7(15-8)1-2-13/h3,9H,1H2.
What are the key properties of 2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile?
2-bromo-6-(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 2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 119012187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).