1-[6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone

C17H16FNO3 — CID 161152364

IUPAC1-[6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone
SMILESCC1(c2ccc(Oc3ccc(C(=O)CO)cn3)c(F)c2)CC1
InChIInChI=1S/C17H16FNO3/c1-17(6-7-17)12-3-4-15(13(18)8-12)22-16-5-2-11(9-19-16)14(21)10-20/h2-5,8-9,20H,6-7,10H2,1H3
InChIKeyUOVSIKUGNBQNBL-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.24
Rot. Bonds5

About 1-[6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone

1-[6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone (PubChem CID 161152364) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-[6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone
PubChem CID161152364
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name1-[6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone
SMILESCC1(c2ccc(Oc3ccc(C(=O)CO)cn3)c(F)c2)CC1
InChIInChI=1S/C17H16FNO3/c1-17(6-7-17)12-3-4-15(13(18)8-12)22-16-5-2-11(9-19-16)14(21)10-20/h2-5,8-9,20H,6-7,10H2,1H3
InChIKeyUOVSIKUGNBQNBL-UHFFFAOYSA-N
XLogP3.24
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone?
The IUPAC name of 1-[6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone (CID 161152364) is 1-[6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone?
The canonical SMILES for 1-[6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone is CC1(c2ccc(Oc3ccc(C(=O)CO)cn3)c(F)c2)CC1.
What is the InChIKey of 1-[6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone?
The InChIKey is UOVSIKUGNBQNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-17(6-7-17)12-3-4-15(13(18)8-12)22-16-5-2-11(9-19-16)14(21)10-20/h2-5,8-9,20H,6-7,10H2,1H3.
What are the key properties of 1-[6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone?
1-[6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone has a molecular weight of 301.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone is sourced from PubChem (CID 161152364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).