(3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol

C12H12FN3O — CID 105126834

IUPAC(3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol
SMILESCc1cc(C(O)c2ccncc2F)c(C)nn1
InChIInChI=1S/C12H12FN3O/c1-7-5-10(8(2)16-15-7)12(17)9-3-4-14-6-11(9)13/h3-6,12,17H,1-2H3
InChIKeyXFGKIYGYQKNZOW-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.71
Rot. Bonds2

About (3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol

(3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol (PubChem CID 105126834) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is (3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol.

Molecular Properties

Compound Name(3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol
PubChem CID105126834
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name(3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol
SMILESCc1cc(C(O)c2ccncc2F)c(C)nn1
InChIInChI=1S/C12H12FN3O/c1-7-5-10(8(2)16-15-7)12(17)9-3-4-14-6-11(9)13/h3-6,12,17H,1-2H3
InChIKeyXFGKIYGYQKNZOW-UHFFFAOYSA-N
XLogP1.71
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol
CID 104737571
(3-fluoro-4-pyridinyl)-(2,4,5-trimethoxyphenyl)methanol
CID 104737555
(3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115833939
1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 11491963
(2-fluoro-4-methoxyphenyl)-(3-methyl-4-pyridinyl)methanol
CID 103395465
(3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727130
2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105133084
(3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105096591
1-(3-fluoro-4-pyridinyl)ethanethiol
CID 89277032
(4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114645155
1-(3-fluoro-4-pyridinyl)prop-2-yn-1-ol
CID 105106256

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol?
The IUPAC name of (3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol (CID 105126834) is (3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol.
What is the SMILES notation for (3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol?
The canonical SMILES for (3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol is Cc1cc(C(O)c2ccncc2F)c(C)nn1.
What is the InChIKey of (3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol?
The InChIKey is XFGKIYGYQKNZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-7-5-10(8(2)16-15-7)12(17)9-3-4-14-6-11(9)13/h3-6,12,17H,1-2H3.
What are the key properties of (3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol?
(3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol has a molecular weight of 233.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethylpyridazin-4-yl)-(3-fluoro-4-pyridinyl)methanol is sourced from PubChem (CID 105126834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).