3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropanenitrile

C9H10FN3 — CID 131201275

IUPAC3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CNc1ncccc1F
InChIInChI=1S/C9H10FN3/c1-7(5-11)6-13-9-8(10)3-2-4-12-9/h2-4,7H,6H2,1H3,(H,12,13)
InChIKeyFKMQDJPUGSCYEO-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.79
Rot. Bonds3

About 3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropanenitrile

3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropanenitrile (PubChem CID 131201275) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropanenitrile
PubChem CID131201275
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CNc1ncccc1F
InChIInChI=1S/C9H10FN3/c1-7(5-11)6-13-9-8(10)3-2-4-12-9/h2-4,7H,6H2,1H3,(H,12,13)
InChIKeyFKMQDJPUGSCYEO-UHFFFAOYSA-N
XLogP1.79
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropanenitrile (CID 131201275) is 3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropanenitrile is CC(C#N)CNc1ncccc1F.
What is the InChIKey of 3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropanenitrile?
The InChIKey is FKMQDJPUGSCYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c1-7(5-11)6-13-9-8(10)3-2-4-12-9/h2-4,7H,6H2,1H3,(H,12,13).
What are the key properties of 3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropanenitrile?
3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropanenitrile has a molecular weight of 179.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 131201275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).