(1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol

C15H17FN2O — CID 149104383

IUPAC(1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol
SMILESCc1ccc(-c2ccc([C@@H](O)[C@H](C)CF)cc2)nn1
InChIInChI=1S/C15H17FN2O/c1-10(9-16)15(19)13-6-4-12(5-7-13)14-8-3-11(2)17-18-14/h3-8,10,15,19H,9H2,1-2H3/t10-,15+/m1/s1
InChIKeyQVJDMQXGVQHHDC-BMIGLBTASA-N
MW260.31 g/mol
LogP3.09
Rot. Bonds4

About (1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol

(1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol (PubChem CID 149104383) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is (1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol
PubChem CID149104383
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name(1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol
SMILESCc1ccc(-c2ccc([C@@H](O)[C@H](C)CF)cc2)nn1
InChIInChI=1S/C15H17FN2O/c1-10(9-16)15(19)13-6-4-12(5-7-13)14-8-3-11(2)17-18-14/h3-8,10,15,19H,9H2,1-2H3/t10-,15+/m1/s1
InChIKeyQVJDMQXGVQHHDC-BMIGLBTASA-N
XLogP3.09
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-Methyl-3-(3-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydrocinnolin-5-ol
CID 9972528
(+/-) 3-alpha-Hydroxybenzylpyridazine
CID 10397539
[3-(6-Methylpyridazin-3-yl)phenyl]methanol
CID 91654733
1-(3,6-Dimethylpyridazin-4-yl)ethanol
CID 11491963
3,4-Di(4-fluorophenyl)-6-isopropylpyridazin-5-ylmethanol
CID 14461247
3-Pyridazinemethanol, 6-[4-(trifluoromethyl)phenyl]-
CID 21935719
(E)-2-fluoro-3-[4-(6-methoxypyridazin-3-yl)phenyl]prop-2-en-1-ol
CID 22631078
(Z)-3-fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol
CID 22631235
7-Methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydrocinnolin-5-ol
CID 23086709
3-[3-(Trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol
CID 23086717
(5S,7R)-7-methyl-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol
CID 68839823
(5S,7S)-7-methyl-3-(3-trifluoromethylphenyl)-5,6,7,8-tetrahydrocinnolin-5-ol
CID 68840114

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol?
The IUPAC name of (1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol (CID 149104383) is (1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol.
What is the SMILES notation for (1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol?
The canonical SMILES for (1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol is Cc1ccc(-c2ccc([C@@H](O)[C@H](C)CF)cc2)nn1.
What is the InChIKey of (1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol?
The InChIKey is QVJDMQXGVQHHDC-BMIGLBTASA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10(9-16)15(19)13-6-4-12(5-7-13)14-8-3-11(2)17-18-14/h3-8,10,15,19H,9H2,1-2H3/t10-,15+/m1/s1.
What are the key properties of (1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol?
(1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol has a molecular weight of 260.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol is sourced from PubChem (CID 149104383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).