2-cyclopropyl-2-[5-fluoro-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile

C15H19FN2O2 — CID 10707715

IUPAC2-cyclopropyl-2-[5-fluoro-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile
SMILESCOc1c(C(C#N)C2CC2)ncc(F)c1OC(C)(C)C
InChIInChI=1S/C15H19FN2O2/c1-15(2,3)20-13-11(16)8-18-12(14(13)19-4)10(7-17)9-5-6-9/h8-10H,5-6H2,1-4H3
InChIKeyUGBZWAHCNFLVLO-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.42
Rot. Bonds4

About 2-cyclopropyl-2-[5-fluoro-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile

2-cyclopropyl-2-[5-fluoro-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile (PubChem CID 10707715) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[5-fluoro-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-[5-fluoro-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile
PubChem CID10707715
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name2-cyclopropyl-2-[5-fluoro-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile
SMILESCOc1c(C(C#N)C2CC2)ncc(F)c1OC(C)(C)C
InChIInChI=1S/C15H19FN2O2/c1-15(2,3)20-13-11(16)8-18-12(14(13)19-4)10(7-17)9-5-6-9/h8-10H,5-6H2,1-4H3
InChIKeyUGBZWAHCNFLVLO-UHFFFAOYSA-N
XLogP3.42
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[5-fluoro-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile?
The IUPAC name of 2-cyclopropyl-2-[5-fluoro-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile (CID 10707715) is 2-cyclopropyl-2-[5-fluoro-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-cyclopropyl-2-[5-fluoro-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-cyclopropyl-2-[5-fluoro-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile is COc1c(C(C#N)C2CC2)ncc(F)c1OC(C)(C)C.
What is the InChIKey of 2-cyclopropyl-2-[5-fluoro-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile?
The InChIKey is UGBZWAHCNFLVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-15(2,3)20-13-11(16)8-18-12(14(13)19-4)10(7-17)9-5-6-9/h8-10H,5-6H2,1-4H3.
What are the key properties of 2-cyclopropyl-2-[5-fluoro-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile?
2-cyclopropyl-2-[5-fluoro-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile has a molecular weight of 278.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[5-fluoro-3-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile is sourced from PubChem (CID 10707715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).