(2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol

C15H16F2N2O — CID 107516160

IUPAC(2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
SMILESCCc1nnc(C)cc1C(O)c1ccc(C)c(F)c1F
InChIInChI=1S/C15H16F2N2O/c1-4-12-11(7-9(3)18-19-12)15(20)10-6-5-8(2)13(16)14(10)17/h5-7,15,20H,4H2,1-3H3
InChIKeyIAXDYDIQYRZAKT-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.02
Rot. Bonds3

About (2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol

(2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol (PubChem CID 107516160) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
PubChem CID107516160
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name(2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
SMILESCCc1nnc(C)cc1C(O)c1ccc(C)c(F)c1F
InChIInChI=1S/C15H16F2N2O/c1-4-12-11(7-9(3)18-19-12)15(20)10-6-5-8(2)13(16)14(10)17/h5-7,15,20H,4H2,1-3H3
InChIKeyIAXDYDIQYRZAKT-UHFFFAOYSA-N
XLogP3.02
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methylphenyl)methanol
CID 105093569
(3-ethyl-6-methylpyridazin-4-yl)-(furan-3-yl)methanol
CID 105097197
(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)-pyridin-3-ylmethanol
CID 105079484
2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol
CID 105114654
(2,3-difluoro-4-methylphenyl)-(3-ethyl-4-pyridinyl)methanol
CID 107512987
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluorophenyl)ethanol
CID 105077714
2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105092346
(3-ethyl-6-methylpyridazin-4-yl)-(2-propylpyrazol-3-yl)methanol
CID 105098012
2-ethoxy-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105111769
1-(3-ethyl-6-methylpyridazin-4-yl)-2-pyridin-4-ylethanol
CID 105108021

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol (CID 107516160) is (2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol is CCc1nnc(C)cc1C(O)c1ccc(C)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The InChIKey is IAXDYDIQYRZAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-4-12-11(7-9(3)18-19-12)15(20)10-6-5-8(2)13(16)14(10)17/h5-7,15,20H,4H2,1-3H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
(2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol has a molecular weight of 278.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol is sourced from PubChem (CID 107516160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).