2-cyclopropyl-2-(5-fluoro-4-methoxy-3-methyl-2-pyridinyl)acetonitrile

C12H13FN2O — CID 20763664

IUPAC2-cyclopropyl-2-(5-fluoro-4-methoxy-3-methyl-2-pyridinyl)acetonitrile
SMILESCOc1c(F)cnc(C(C#N)C2CC2)c1C
InChIInChI=1S/C12H13FN2O/c1-7-11(9(5-14)8-3-4-8)15-6-10(13)12(7)16-2/h6,8-9H,3-4H2,1-2H3
InChIKeyKDPHJASSADNGMU-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.55
Rot. Bonds3

About 2-cyclopropyl-2-(5-fluoro-4-methoxy-3-methyl-2-pyridinyl)acetonitrile

2-cyclopropyl-2-(5-fluoro-4-methoxy-3-methyl-2-pyridinyl)acetonitrile (PubChem CID 20763664) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-(5-fluoro-4-methoxy-3-methyl-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(5-fluoro-4-methoxy-3-methyl-2-pyridinyl)acetonitrile
PubChem CID20763664
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-cyclopropyl-2-(5-fluoro-4-methoxy-3-methyl-2-pyridinyl)acetonitrile
SMILESCOc1c(F)cnc(C(C#N)C2CC2)c1C
InChIInChI=1S/C12H13FN2O/c1-7-11(9(5-14)8-3-4-8)15-6-10(13)12(7)16-2/h6,8-9H,3-4H2,1-2H3
InChIKeyKDPHJASSADNGMU-UHFFFAOYSA-N
XLogP2.55
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(5-fluoro-4-methoxy-3-methyl-2-pyridinyl)acetonitrile?
The IUPAC name of 2-cyclopropyl-2-(5-fluoro-4-methoxy-3-methyl-2-pyridinyl)acetonitrile (CID 20763664) is 2-cyclopropyl-2-(5-fluoro-4-methoxy-3-methyl-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-cyclopropyl-2-(5-fluoro-4-methoxy-3-methyl-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-cyclopropyl-2-(5-fluoro-4-methoxy-3-methyl-2-pyridinyl)acetonitrile is COc1c(F)cnc(C(C#N)C2CC2)c1C.
What is the InChIKey of 2-cyclopropyl-2-(5-fluoro-4-methoxy-3-methyl-2-pyridinyl)acetonitrile?
The InChIKey is KDPHJASSADNGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-7-11(9(5-14)8-3-4-8)15-6-10(13)12(7)16-2/h6,8-9H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(5-fluoro-4-methoxy-3-methyl-2-pyridinyl)acetonitrile?
2-cyclopropyl-2-(5-fluoro-4-methoxy-3-methyl-2-pyridinyl)acetonitrile has a molecular weight of 220.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(5-fluoro-4-methoxy-3-methyl-2-pyridinyl)acetonitrile is sourced from PubChem (CID 20763664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).