4-(5-bromo-2,3-difluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile

C14H9BrF2N2O — CID 107098249

IUPAC4-(5-bromo-2,3-difluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Oc2cc(Br)cc(F)c2F)c(C#N)c(C)n1
InChIInChI=1S/C14H9BrF2N2O/c1-7-3-12(10(6-18)8(2)19-7)20-13-5-9(15)4-11(16)14(13)17/h3-5H,1-2H3
InChIKeyZCBHZPDQSKRVMO-UHFFFAOYSA-N
MW339.14 g/mol
LogP4.40
Rot. Bonds2

About 4-(5-bromo-2,3-difluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile

4-(5-bromo-2,3-difluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 107098249) has the molecular formula C14H9BrF2N2O and a molecular weight of 339.14 g/mol. Its IUPAC name is 4-(5-bromo-2,3-difluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(5-bromo-2,3-difluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID107098249
Molecular FormulaC14H9BrF2N2O
Molecular Weight339.14 g/mol
Exact Mass337.99
IUPAC Name4-(5-bromo-2,3-difluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Oc2cc(Br)cc(F)c2F)c(C#N)c(C)n1
InChIInChI=1S/C14H9BrF2N2O/c1-7-3-12(10(6-18)8(2)19-7)20-13-5-9(15)4-11(16)14(13)17/h3-5H,1-2H3
InChIKeyZCBHZPDQSKRVMO-UHFFFAOYSA-N
XLogP4.40
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromo-4-fluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile
CID 83232543
4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060865
4-(5-bromo-2,3-difluorophenoxy)-3-fluorobenzonitrile
CID 107098253
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile
CID 103174694
2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole
CID 107099338
4-(4-chloro-2,6-dimethylphenoxy)-2,6-dimethylpyridine-3-carbonitrile
CID 81059931
2-(5-bromo-2,3-difluorophenoxy)-5-chlorobenzonitrile
CID 107098218
2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 107099157
2,6-dimethyl-4-quinolin-8-yloxypyridine-3-carbonitrile
CID 81060623
3-(5-bromo-2,3-difluorophenoxy)-4-[(1R)-1-hydroxyethyl]benzonitrile
CID 107100113
2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile
CID 81061226
2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 107100969

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2,3-difluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(5-bromo-2,3-difluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile (CID 107098249) is 4-(5-bromo-2,3-difluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(5-bromo-2,3-difluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(5-bromo-2,3-difluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(Oc2cc(Br)cc(F)c2F)c(C#N)c(C)n1.
What is the InChIKey of 4-(5-bromo-2,3-difluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is ZCBHZPDQSKRVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N2O/c1-7-3-12(10(6-18)8(2)19-7)20-13-5-9(15)4-11(16)14(13)17/h3-5H,1-2H3.
What are the key properties of 4-(5-bromo-2,3-difluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile?
4-(5-bromo-2,3-difluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 339.14 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2,3-difluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 107098249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).