1-bromo-7-(trifluoromethyl)isoquinolin-4-ol

C10H5BrF3NO — CID 141275218

IUPAC1-bromo-7-(trifluoromethyl)isoquinolin-4-ol
SMILESOc1cnc(Br)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C10H5BrF3NO/c11-9-7-3-5(10(12,13)14)1-2-6(7)8(16)4-15-9/h1-4,16H
InChIKeyNSMPGOPXHOQGTI-UHFFFAOYSA-N
MW292.05 g/mol
LogP3.72
Rot. Bonds

About 1-bromo-7-(trifluoromethyl)isoquinolin-4-ol

1-bromo-7-(trifluoromethyl)isoquinolin-4-ol (PubChem CID 141275218) has the molecular formula C10H5BrF3NO and a molecular weight of 292.05 g/mol. Its IUPAC name is 1-bromo-7-(trifluoromethyl)isoquinolin-4-ol.

Molecular Properties

Compound Name1-bromo-7-(trifluoromethyl)isoquinolin-4-ol
PubChem CID141275218
Molecular FormulaC10H5BrF3NO
Molecular Weight292.05 g/mol
Exact Mass290.95
IUPAC Name1-bromo-7-(trifluoromethyl)isoquinolin-4-ol
SMILESOc1cnc(Br)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C10H5BrF3NO/c11-9-7-3-5(10(12,13)14)1-2-6(7)8(16)4-15-9/h1-4,16H
InChIKeyNSMPGOPXHOQGTI-UHFFFAOYSA-N
XLogP3.72
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.05
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-7-(trifluoromethyl)quinolin-3-ol
CID 105484353
4-bromo-6-(trifluoromethyl)-2H-phthalazin-1-one
CID 162363983
4-bromo-7-(trifluoromethyl)isoquinoline
CID 131699987
4-bromo-6-(trifluoromethyl)isoquinoline
CID 84750895
2,11-bis(trifluoromethyl)picene
CID 88902337
2-sulfanyl-5-(trifluoromethyl)phenol
CID 130035062
2-bromo-3-chloro-5-(trifluoromethyl)pyridine
CID 2736237
6-chloro-4-[4-(trifluoromethyl)phenyl]pyridin-3-ol
CID 119008086
3-amino-6-(trifluoromethyl)naphthalen-1-ol
CID 105484357
3,10-bis(trifluoromethyl)picene
CID 88902241
2-[[3-bromo-7-(trifluoromethyl)quinolin-4-yl]amino]ethanol
CID 14209237
2-chloro-4-(trifluoromethyl)phenol
CID 2736603

Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-(trifluoromethyl)isoquinolin-4-ol?
The IUPAC name of 1-bromo-7-(trifluoromethyl)isoquinolin-4-ol (CID 141275218) is 1-bromo-7-(trifluoromethyl)isoquinolin-4-ol.
What is the SMILES notation for 1-bromo-7-(trifluoromethyl)isoquinolin-4-ol?
The canonical SMILES for 1-bromo-7-(trifluoromethyl)isoquinolin-4-ol is Oc1cnc(Br)c2cc(C(F)(F)F)ccc12.
What is the InChIKey of 1-bromo-7-(trifluoromethyl)isoquinolin-4-ol?
The InChIKey is NSMPGOPXHOQGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3NO/c11-9-7-3-5(10(12,13)14)1-2-6(7)8(16)4-15-9/h1-4,16H.
What are the key properties of 1-bromo-7-(trifluoromethyl)isoquinolin-4-ol?
1-bromo-7-(trifluoromethyl)isoquinolin-4-ol has a molecular weight of 292.05 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-(trifluoromethyl)isoquinolin-4-ol is sourced from PubChem (CID 141275218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).