7-methyl-3-[3-(trifluoromethyl)phenyl]cinnolin-5-ol

C16H11F3N2O — CID 135458024

IUPAC7-methyl-3-[3-(trifluoromethyl)phenyl]cinnolin-5-ol
SMILESCc1cc(O)c2cc(-c3cccc(C(F)(F)F)c3)nnc2c1
InChIInChI=1S/C16H11F3N2O/c1-9-5-14-12(15(22)6-9)8-13(20-21-14)10-3-2-4-11(7-10)16(17,18)19/h2-8,22H,1H3
InChIKeyQSKIZYRUCOIXGJ-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.33
Rot. Bonds1

About 7-methyl-3-[3-(trifluoromethyl)phenyl]cinnolin-5-ol

7-methyl-3-[3-(trifluoromethyl)phenyl]cinnolin-5-ol (PubChem CID 135458024) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 7-methyl-3-[3-(trifluoromethyl)phenyl]cinnolin-5-ol.

Molecular Properties

Compound Name7-methyl-3-[3-(trifluoromethyl)phenyl]cinnolin-5-ol
PubChem CID135458024
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name7-methyl-3-[3-(trifluoromethyl)phenyl]cinnolin-5-ol
SMILESCc1cc(O)c2cc(-c3cccc(C(F)(F)F)c3)nnc2c1
InChIInChI=1S/C16H11F3N2O/c1-9-5-14-12(15(22)6-9)8-13(20-21-14)10-3-2-4-11(7-10)16(17,18)19/h2-8,22H,1H3
InChIKeyQSKIZYRUCOIXGJ-UHFFFAOYSA-N
XLogP4.33
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-7-methyl-3-[3-(trifluoromethyl)phenyl]cinnoline
CID 23086712
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225
4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 19959667
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
(5S,7R)-7-methyl-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-5-ol
CID 68839823
2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine
CID 163288516
2,3-difluoro-5-[3-(trifluoromethyl)phenyl]phenol
CID 134627781
2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 53218025
N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 62201435
N,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 71528502
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[3-(trifluoromethyl)phenyl]cinnolin-5-ol?
The IUPAC name of 7-methyl-3-[3-(trifluoromethyl)phenyl]cinnolin-5-ol (CID 135458024) is 7-methyl-3-[3-(trifluoromethyl)phenyl]cinnolin-5-ol.
What is the SMILES notation for 7-methyl-3-[3-(trifluoromethyl)phenyl]cinnolin-5-ol?
The canonical SMILES for 7-methyl-3-[3-(trifluoromethyl)phenyl]cinnolin-5-ol is Cc1cc(O)c2cc(-c3cccc(C(F)(F)F)c3)nnc2c1.
What is the InChIKey of 7-methyl-3-[3-(trifluoromethyl)phenyl]cinnolin-5-ol?
The InChIKey is QSKIZYRUCOIXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c1-9-5-14-12(15(22)6-9)8-13(20-21-14)10-3-2-4-11(7-10)16(17,18)19/h2-8,22H,1H3.
What are the key properties of 7-methyl-3-[3-(trifluoromethyl)phenyl]cinnolin-5-ol?
7-methyl-3-[3-(trifluoromethyl)phenyl]cinnolin-5-ol has a molecular weight of 304.27 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[3-(trifluoromethyl)phenyl]cinnolin-5-ol is sourced from PubChem (CID 135458024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).