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

C11H13F2N3 — CID 112675420

IUPAC3-[(3,5-difluoro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1ncc(F)cc1F
InChIInChI=1S/C11H13F2N3/c1-3-16(7-8(2)5-14)11-10(13)4-9(12)6-15-11/h4,6,8H,3,7H2,1-2H3
InChIKeyREBYDIBQLUELPD-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.35
Rot. Bonds4

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

3-[(3,5-difluoro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile (PubChem CID 112675420) has the molecular formula C11H13F2N3 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-[(3,5-difluoro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(3,5-difluoro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
PubChem CID112675420
Molecular FormulaC11H13F2N3
Molecular Weight225.24 g/mol
Exact Mass225.11
IUPAC Name3-[(3,5-difluoro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1ncc(F)cc1F
InChIInChI=1S/C11H13F2N3/c1-3-16(7-8(2)5-14)11-10(13)4-9(12)6-15-11/h4,6,8H,3,7H2,1-2H3
InChIKeyREBYDIBQLUELPD-UHFFFAOYSA-N
XLogP2.35
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.35
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)-ethylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(3,5-difluoro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile (CID 112675420) is 3-[(3,5-difluoro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(3,5-difluoro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(3,5-difluoro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile is CCN(CC(C)C#N)c1ncc(F)cc1F.
What is the InChIKey of 3-[(3,5-difluoro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile?
The InChIKey is REBYDIBQLUELPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3/c1-3-16(7-8(2)5-14)11-10(13)4-9(12)6-15-11/h4,6,8H,3,7H2,1-2H3.
What are the key properties of 3-[(3,5-difluoro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile?
3-[(3,5-difluoro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile has a molecular weight of 225.24 g/mol, XLogP of 2.35, 4 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)-ethylamino]-2-methylpropanenitrile is sourced from PubChem (CID 112675420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).