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

C12H11FN2O — CID 105093809

IUPAC(4-fluoro-2-methylphenyl)-pyridazin-4-ylmethanol
SMILESCc1cc(F)ccc1C(O)c1ccnnc1
InChIInChI=1S/C12H11FN2O/c1-8-6-10(13)2-3-11(8)12(16)9-4-5-14-15-7-9/h2-7,12,16H,1H3
InChIKeyNWOMGEQYGAIIDQ-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.01
Rot. Bonds2

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

(4-fluoro-2-methylphenyl)-pyridazin-4-ylmethanol (PubChem CID 105093809) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-pyridazin-4-ylmethanol.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-pyridazin-4-ylmethanol
PubChem CID105093809
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name(4-fluoro-2-methylphenyl)-pyridazin-4-ylmethanol
SMILESCc1cc(F)ccc1C(O)c1ccnnc1
InChIInChI=1S/C12H11FN2O/c1-8-6-10(13)2-3-11(8)12(16)9-4-5-14-15-7-9/h2-7,12,16H,1H3
InChIKeyNWOMGEQYGAIIDQ-UHFFFAOYSA-N
XLogP2.01
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-2-methylphenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756177
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanol
CID 62791480
(4-fluorophenyl)-pyridazin-4-ylmethanol
CID 105077226
(4-methyl-3-pyridinyl)-pyridazin-4-ylmethanol
CID 105110785
(4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol
CID 115794222
(2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol
CID 103397496
(4-fluoro-2-methylphenyl)-(3-methylphenyl)methanol
CID 62791652
(5-fluoro-3-pyridinyl)-pyridazin-4-ylmethanol
CID 105080356
(5-fluoro-2-methylphenyl)-pyridin-3-ylmethanol
CID 62388574
2-(2,5-difluorophenyl)-1-pyridazin-4-ylethanol
CID 105081030
(2-bromo-5-fluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794207

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-pyridazin-4-ylmethanol?
The IUPAC name of (4-fluoro-2-methylphenyl)-pyridazin-4-ylmethanol (CID 105093809) is (4-fluoro-2-methylphenyl)-pyridazin-4-ylmethanol.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-pyridazin-4-ylmethanol?
The canonical SMILES for (4-fluoro-2-methylphenyl)-pyridazin-4-ylmethanol is Cc1cc(F)ccc1C(O)c1ccnnc1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-pyridazin-4-ylmethanol?
The InChIKey is NWOMGEQYGAIIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-8-6-10(13)2-3-11(8)12(16)9-4-5-14-15-7-9/h2-7,12,16H,1H3.
What are the key properties of (4-fluoro-2-methylphenyl)-pyridazin-4-ylmethanol?
(4-fluoro-2-methylphenyl)-pyridazin-4-ylmethanol has a molecular weight of 218.23 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-pyridazin-4-ylmethanol is sourced from PubChem (CID 105093809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).