3-methyl-2-pyridazin-3-yl-5-(trifluoromethyl)phenol

C12H9F3N2O — CID 176652816

IUPAC3-methyl-2-pyridazin-3-yl-5-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1cccnn1
InChIInChI=1S/C12H9F3N2O/c1-7-5-8(12(13,14)15)6-10(18)11(7)9-3-2-4-16-17-9/h2-6,18H,1H3
InChIKeyWWCMCNBYUYQPIP-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.18
Rot. Bonds1

About 3-methyl-2-pyridazin-3-yl-5-(trifluoromethyl)phenol

3-methyl-2-pyridazin-3-yl-5-(trifluoromethyl)phenol (PubChem CID 176652816) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 3-methyl-2-pyridazin-3-yl-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-methyl-2-pyridazin-3-yl-5-(trifluoromethyl)phenol
PubChem CID176652816
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name3-methyl-2-pyridazin-3-yl-5-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1cccnn1
InChIInChI=1S/C12H9F3N2O/c1-7-5-8(12(13,14)15)6-10(18)11(7)9-3-2-4-16-17-9/h2-6,18H,1H3
InChIKeyWWCMCNBYUYQPIP-UHFFFAOYSA-N
XLogP3.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 365022
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CID 172407603
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CID 136827408
CID 136827408
CID 10244636
CID 10244636
CID 86608511
CID 86608511
CID 135741697
CID 135741697
CID 135743670
CID 135743670
CID 136063629
CID 136063629
CID 136200876
CID 136200876
CID 136200882
CID 136200882
CID 136200888
CID 136200888

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pyridazin-3-yl-5-(trifluoromethyl)phenol?
The IUPAC name of 3-methyl-2-pyridazin-3-yl-5-(trifluoromethyl)phenol (CID 176652816) is 3-methyl-2-pyridazin-3-yl-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-methyl-2-pyridazin-3-yl-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-methyl-2-pyridazin-3-yl-5-(trifluoromethyl)phenol is Cc1cc(C(F)(F)F)cc(O)c1-c1cccnn1.
What is the InChIKey of 3-methyl-2-pyridazin-3-yl-5-(trifluoromethyl)phenol?
The InChIKey is WWCMCNBYUYQPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c1-7-5-8(12(13,14)15)6-10(18)11(7)9-3-2-4-16-17-9/h2-6,18H,1H3.
What are the key properties of 3-methyl-2-pyridazin-3-yl-5-(trifluoromethyl)phenol?
3-methyl-2-pyridazin-3-yl-5-(trifluoromethyl)phenol has a molecular weight of 254.21 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pyridazin-3-yl-5-(trifluoromethyl)phenol is sourced from PubChem (CID 176652816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).