(E)-2-fluoro-3-[4-(6-methoxypyridazin-3-yl)phenyl]prop-2-en-1-ol

C14H13FN2O2 — CID 22631078

IUPAC(E)-2-fluoro-3-[4-(6-methoxypyridazin-3-yl)phenyl]prop-2-en-1-ol
SMILESCOc1ccc(-c2ccc(/C=C(/F)CO)cc2)nn1
InChIInChI=1S/C14H13FN2O2/c1-19-14-7-6-13(16-17-14)11-4-2-10(3-5-11)8-12(15)9-18/h2-8,18H,9H2,1H3/b12-8+
InChIKeyLNSBWLHMFUYHJX-XYOKQWHBSA-N
MW260.27 g/mol
LogP2.45
Rot. Bonds4

About (E)-2-fluoro-3-[4-(6-methoxypyridazin-3-yl)phenyl]prop-2-en-1-ol

(E)-2-fluoro-3-[4-(6-methoxypyridazin-3-yl)phenyl]prop-2-en-1-ol (PubChem CID 22631078) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is (E)-2-fluoro-3-[4-(6-methoxypyridazin-3-yl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-fluoro-3-[4-(6-methoxypyridazin-3-yl)phenyl]prop-2-en-1-ol
PubChem CID22631078
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name(E)-2-fluoro-3-[4-(6-methoxypyridazin-3-yl)phenyl]prop-2-en-1-ol
SMILESCOc1ccc(-c2ccc(/C=C(/F)CO)cc2)nn1
InChIInChI=1S/C14H13FN2O2/c1-19-14-7-6-13(16-17-14)11-4-2-10(3-5-11)8-12(15)9-18/h2-8,18H,9H2,1H3/b12-8+
InChIKeyLNSBWLHMFUYHJX-XYOKQWHBSA-N
XLogP2.45
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-3-[4-(6-methoxypyridazin-3-yl)phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-2-fluoro-3-[4-(6-methoxypyridazin-3-yl)phenyl]prop-2-en-1-ol (CID 22631078) is (E)-2-fluoro-3-[4-(6-methoxypyridazin-3-yl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-2-fluoro-3-[4-(6-methoxypyridazin-3-yl)phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-2-fluoro-3-[4-(6-methoxypyridazin-3-yl)phenyl]prop-2-en-1-ol is COc1ccc(-c2ccc(/C=C(/F)CO)cc2)nn1.
What is the InChIKey of (E)-2-fluoro-3-[4-(6-methoxypyridazin-3-yl)phenyl]prop-2-en-1-ol?
The InChIKey is LNSBWLHMFUYHJX-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-19-14-7-6-13(16-17-14)11-4-2-10(3-5-11)8-12(15)9-18/h2-8,18H,9H2,1H3/b12-8+.
What are the key properties of (E)-2-fluoro-3-[4-(6-methoxypyridazin-3-yl)phenyl]prop-2-en-1-ol?
(E)-2-fluoro-3-[4-(6-methoxypyridazin-3-yl)phenyl]prop-2-en-1-ol has a molecular weight of 260.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-[4-(6-methoxypyridazin-3-yl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 22631078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).