(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol

C15H17FN2O — CID 105093569

IUPAC(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol
SMILESCCc1nnc(C)cc1C(O)c1cc(F)ccc1C
InChIInChI=1S/C15H17FN2O/c1-4-14-13(7-10(3)17-18-14)15(19)12-8-11(16)6-5-9(12)2/h5-8,15,19H,4H2,1-3H3
InChIKeyMDQNFXQWWALKJN-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.88
Rot. Bonds3

About (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol

(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol (PubChem CID 105093569) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol
PubChem CID105093569
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol
SMILESCCc1nnc(C)cc1C(O)c1cc(F)ccc1C
InChIInChI=1S/C15H17FN2O/c1-4-14-13(7-10(3)17-18-14)15(19)12-8-11(16)6-5-9(12)2/h5-8,15,19H,4H2,1-3H3
InChIKeyMDQNFXQWWALKJN-UHFFFAOYSA-N
XLogP2.88
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 107516160
(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176557
(3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105133302
(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanol
CID 105102712
(3-ethyl-6-methylpyridazin-4-yl)-(furan-3-yl)methanol
CID 105097197
(3-ethyl-6-methylpyridazin-4-yl)-pyridin-3-ylmethanol
CID 105079484
2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol
CID 105114654
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluorophenyl)ethanol
CID 105077714
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376734
(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanol
CID 105093589
2-ethyl-1-(5-fluoro-2-methylphenyl)butane-1,2-diol
CID 103449382
(5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol
CID 62964628

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol?
The IUPAC name of (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol (CID 105093569) is (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol?
The canonical SMILES for (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol is CCc1nnc(C)cc1C(O)c1cc(F)ccc1C.
What is the InChIKey of (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol?
The InChIKey is MDQNFXQWWALKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-4-14-13(7-10(3)17-18-14)15(19)12-8-11(16)6-5-9(12)2/h5-8,15,19H,4H2,1-3H3.
What are the key properties of (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol?
(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol has a molecular weight of 260.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 105093569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).