2-(5-amino-3-fluoro-6-methoxy-2-pyridinyl)acetonitrile

C8H8FN3O — CID 170733413

IUPAC2-(5-amino-3-fluoro-6-methoxy-2-pyridinyl)acetonitrile
SMILESCOc1nc(CC#N)c(F)cc1N
InChIInChI=1S/C8H8FN3O/c1-13-8-6(11)4-5(9)7(12-8)2-3-10/h4H,2,11H2,1H3
InChIKeyCZWAINXGINOJQF-UHFFFAOYSA-N
MW181.17 g/mol
LogP0.88
Rot. Bonds2

About 2-(5-amino-3-fluoro-6-methoxy-2-pyridinyl)acetonitrile

2-(5-amino-3-fluoro-6-methoxy-2-pyridinyl)acetonitrile (PubChem CID 170733413) has the molecular formula C8H8FN3O and a molecular weight of 181.17 g/mol. Its IUPAC name is 2-(5-amino-3-fluoro-6-methoxy-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(5-amino-3-fluoro-6-methoxy-2-pyridinyl)acetonitrile
PubChem CID170733413
Molecular FormulaC8H8FN3O
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC Name2-(5-amino-3-fluoro-6-methoxy-2-pyridinyl)acetonitrile
SMILESCOc1nc(CC#N)c(F)cc1N
InChIInChI=1S/C8H8FN3O/c1-13-8-6(11)4-5(9)7(12-8)2-3-10/h4H,2,11H2,1H3
InChIKeyCZWAINXGINOJQF-UHFFFAOYSA-N
XLogP0.88
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-fluoro-6-methoxy-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(5-amino-3-fluoro-6-methoxy-2-pyridinyl)acetonitrile (CID 170733413) is 2-(5-amino-3-fluoro-6-methoxy-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(5-amino-3-fluoro-6-methoxy-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(5-amino-3-fluoro-6-methoxy-2-pyridinyl)acetonitrile is COc1nc(CC#N)c(F)cc1N.
What is the InChIKey of 2-(5-amino-3-fluoro-6-methoxy-2-pyridinyl)acetonitrile?
The InChIKey is CZWAINXGINOJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O/c1-13-8-6(11)4-5(9)7(12-8)2-3-10/h4H,2,11H2,1H3.
What are the key properties of 2-(5-amino-3-fluoro-6-methoxy-2-pyridinyl)acetonitrile?
2-(5-amino-3-fluoro-6-methoxy-2-pyridinyl)acetonitrile has a molecular weight of 181.17 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-fluoro-6-methoxy-2-pyridinyl)acetonitrile is sourced from PubChem (CID 170733413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).