(2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol

C12H11FN2O2 — CID 103397496

IUPAC(2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol
SMILESCOc1ccc(C(O)c2ccnnc2)c(F)c1
InChIInChI=1S/C12H11FN2O2/c1-17-9-2-3-10(11(13)6-9)12(16)8-4-5-14-15-7-8/h2-7,12,16H,1H3
InChIKeyMJTGTLYJRLEULP-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.71
Rot. Bonds3

About (2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol

(2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol (PubChem CID 103397496) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol
PubChem CID103397496
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name(2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol
SMILESCOc1ccc(C(O)c2ccnnc2)c(F)c1
InChIInChI=1S/C12H11FN2O2/c1-17-9-2-3-10(11(13)6-9)12(16)8-4-5-14-15-7-8/h2-7,12,16H,1H3
InChIKeyMJTGTLYJRLEULP-UHFFFAOYSA-N
XLogP1.71
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol
CID 105095945
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
(3,5-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61083265
(2-fluoro-4-methoxyphenyl)-(3-methyl-4-pyridinyl)methanol
CID 103395465
(2-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanol
CID 61082292
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 102884337
(4-fluoro-2-methylphenyl)-pyridazin-4-ylmethanol
CID 105093809
(5-amino-1H-pyrazol-4-yl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103395395
(3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103395113
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61080731
(2-amino-4-methyl-3-pyridinyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 81305114
(2-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanol
CID 103395508

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol (CID 103397496) is (2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol is COc1ccc(C(O)c2ccnnc2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol?
The InChIKey is MJTGTLYJRLEULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-17-9-2-3-10(11(13)6-9)12(16)8-4-5-14-15-7-8/h2-7,12,16H,1H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol?
(2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol has a molecular weight of 234.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol is sourced from PubChem (CID 103397496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).