(Z)-3-fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol

C14H13FN2O — CID 22631235

IUPAC(Z)-3-fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol
SMILESCc1ccc(-c2ccc(/C(F)=C/CO)cc2)nn1
InChIInChI=1S/C14H13FN2O/c1-10-2-7-14(17-16-10)12-5-3-11(4-6-12)13(15)8-9-18/h2-8,18H,9H2,1H3/b13-8-
InChIKeyMJVPAXNSXQTFPG-JYRVWZFOSA-N
MW244.27 g/mol
LogP2.75
Rot. Bonds3

About (Z)-3-fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol

(Z)-3-fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol (PubChem CID 22631235) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is (Z)-3-fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol
PubChem CID22631235
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name(Z)-3-fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol
SMILESCc1ccc(-c2ccc(/C(F)=C/CO)cc2)nn1
InChIInChI=1S/C14H13FN2O/c1-10-2-7-14(17-16-10)12-5-3-11(4-6-12)13(15)8-9-18/h2-8,18H,9H2,1H3/b13-8-
InChIKeyMJVPAXNSXQTFPG-JYRVWZFOSA-N
XLogP2.75
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 10537871
3-Phenyl-6-p-tolyl-pyridazine
CID 6408779
[3-(6-Methylpyridazin-3-yl)phenyl]methanol
CID 91654733
3-Methyl-6-phenylpyridazine
CID 11378744
3-Phenyl-6-propan-2-ylpyridazine
CID 18340644
3-Methyl-6-(3,4,5-trifluorophenyl)pyridazine
CID 74240365
3-Fluoro-6-phenylpyridazine
CID 10921001
3-(2-Fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine
CID 15950757
3-(3-Fluorophenyl)-6-methylpyridazine
CID 16743502
3-(4-Fluorophenyl)-6-methylpyridazine
CID 16743503
3-[4-(Trifluoromethyl)phenyl]-6-methylpyridazine
CID 16743676
3-(2-Fluorophenyl)-6-methylpyridazine
CID 16743683

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol?
The IUPAC name of (Z)-3-fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol (CID 22631235) is (Z)-3-fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol?
The canonical SMILES for (Z)-3-fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol is Cc1ccc(-c2ccc(/C(F)=C/CO)cc2)nn1.
What is the InChIKey of (Z)-3-fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol?
The InChIKey is MJVPAXNSXQTFPG-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-10-2-7-14(17-16-10)12-5-3-11(4-6-12)13(15)8-9-18/h2-8,18H,9H2,1H3/b13-8-.
What are the key properties of (Z)-3-fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol?
(Z)-3-fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol has a molecular weight of 244.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 22631235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).