3-[ethyl-(3-fluoro-2-pyridinyl)amino]propanenitrile

C10H12FN3 — CID 62733408

IUPAC3-[ethyl-(3-fluoro-2-pyridinyl)amino]propanenitrile
SMILESCCN(CCC#N)c1ncccc1F
InChIInChI=1S/C10H12FN3/c1-2-14(8-4-6-12)10-9(11)5-3-7-13-10/h3,5,7H,2,4,8H2,1H3
InChIKeyDABDUULXUWUKIN-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.96
Rot. Bonds4

About 3-[ethyl-(3-fluoro-2-pyridinyl)amino]propanenitrile

3-[ethyl-(3-fluoro-2-pyridinyl)amino]propanenitrile (PubChem CID 62733408) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 3-[ethyl-(3-fluoro-2-pyridinyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl-(3-fluoro-2-pyridinyl)amino]propanenitrile
PubChem CID62733408
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name3-[ethyl-(3-fluoro-2-pyridinyl)amino]propanenitrile
SMILESCCN(CCC#N)c1ncccc1F
InChIInChI=1S/C10H12FN3/c1-2-14(8-4-6-12)10-9(11)5-3-7-13-10/h3,5,7H,2,4,8H2,1H3
InChIKeyDABDUULXUWUKIN-UHFFFAOYSA-N
XLogP1.96
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
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-[ethyl-(3-fluoro-2-pyridinyl)amino]propanenitrile?
The IUPAC name of 3-[ethyl-(3-fluoro-2-pyridinyl)amino]propanenitrile (CID 62733408) is 3-[ethyl-(3-fluoro-2-pyridinyl)amino]propanenitrile.
What is the SMILES notation for 3-[ethyl-(3-fluoro-2-pyridinyl)amino]propanenitrile?
The canonical SMILES for 3-[ethyl-(3-fluoro-2-pyridinyl)amino]propanenitrile is CCN(CCC#N)c1ncccc1F.
What is the InChIKey of 3-[ethyl-(3-fluoro-2-pyridinyl)amino]propanenitrile?
The InChIKey is DABDUULXUWUKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c1-2-14(8-4-6-12)10-9(11)5-3-7-13-10/h3,5,7H,2,4,8H2,1H3.
What are the key properties of 3-[ethyl-(3-fluoro-2-pyridinyl)amino]propanenitrile?
3-[ethyl-(3-fluoro-2-pyridinyl)amino]propanenitrile has a molecular weight of 193.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-fluoro-2-pyridinyl)amino]propanenitrile is sourced from PubChem (CID 62733408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).