2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile

C14H10ClFN2O — CID 82717285

IUPAC2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Oc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C14H10ClFN2O/c1-8-5-9(2)18-14(11(8)7-17)19-10-3-4-12(15)13(16)6-10/h3-6H,1-2H3
InChIKeySJJKTLKTKYNLLV-UHFFFAOYSA-N
MW276.70 g/mol
LogP4.15
Rot. Bonds2

About 2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile

2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 82717285) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID82717285
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Oc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C14H10ClFN2O/c1-8-5-9(2)18-14(11(8)7-17)19-10-3-4-12(15)13(16)6-10/h3-6H,1-2H3
InChIKeySJJKTLKTKYNLLV-UHFFFAOYSA-N
XLogP4.15
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile (CID 82717285) is 2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Oc2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is SJJKTLKTKYNLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c1-8-5-9(2)18-14(11(8)7-17)19-10-3-4-12(15)13(16)6-10/h3-6H,1-2H3.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 276.70 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 82717285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).