4-[(2,4-difluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile

C15H13F2N3 — CID 81060281

IUPAC4-[(2,4-difluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCc2ccc(F)cc2F)c(C#N)c(C)n1
InChIInChI=1S/C15H13F2N3/c1-9-5-15(13(7-18)10(2)20-9)19-8-11-3-4-12(16)6-14(11)17/h3-6H,8H2,1-2H3,(H,19,20)
InChIKeyKCOQUEJCPYNUJJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.46
Rot. Bonds3

About 4-[(2,4-difluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile

4-[(2,4-difluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060281) has the molecular formula C15H13F2N3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060281
Molecular FormulaC15H13F2N3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-[(2,4-difluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCc2ccc(F)cc2F)c(C#N)c(C)n1
InChIInChI=1S/C15H13F2N3/c1-9-5-15(13(7-18)10(2)20-9)19-8-11-3-4-12(16)6-14(11)17/h3-6H,8H2,1-2H3,(H,19,20)
InChIKeyKCOQUEJCPYNUJJ-UHFFFAOYSA-N
XLogP3.46
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[(2,4-difluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile (CID 81060281) is 4-[(2,4-difluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[(2,4-difluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NCc2ccc(F)cc2F)c(C#N)c(C)n1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is KCOQUEJCPYNUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3/c1-9-5-15(13(7-18)10(2)20-9)19-8-11-3-4-12(16)6-14(11)17/h3-6H,8H2,1-2H3,(H,19,20).
What are the key properties of 4-[(2,4-difluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile?
4-[(2,4-difluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 273.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).