3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile

C10H11F2N3 — CID 112675422

IUPAC3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)c1ncc(F)cc1F
InChIInChI=1S/C10H11F2N3/c1-7(4-13)6-15(2)10-9(12)3-8(11)5-14-10/h3,5,7H,6H2,1-2H3
InChIKeyUNAFYCIMXXYVIW-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.96
Rot. Bonds3

About 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile

3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile (PubChem CID 112675422) has the molecular formula C10H11F2N3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile
PubChem CID112675422
Molecular FormulaC10H11F2N3
Molecular Weight211.22 g/mol
Exact Mass211.09
IUPAC Name3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)c1ncc(F)cc1F
InChIInChI=1S/C10H11F2N3/c1-7(4-13)6-15(2)10-9(12)3-8(11)5-14-10/h3,5,7H,6H2,1-2H3
InChIKeyUNAFYCIMXXYVIW-UHFFFAOYSA-N
XLogP1.96
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile (CID 112675422) is 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile is CC(C#N)CN(C)c1ncc(F)cc1F.
What is the InChIKey of 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile?
The InChIKey is UNAFYCIMXXYVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3/c1-7(4-13)6-15(2)10-9(12)3-8(11)5-14-10/h3,5,7H,6H2,1-2H3.
What are the key properties of 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile?
3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile has a molecular weight of 211.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluoro-2-pyridinyl)-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 112675422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).