pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride

C13H9ClF3NO2 — CID 68682751

IUPACpyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccncc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H8F3NO2.ClH/c14-13(15,16)19-11-3-1-9(2-4-11)12(18)10-5-7-17-8-6-10;/h1-8H;1H
InChIKeyVZAKRPGMRKEKIP-UHFFFAOYSA-N
MW303.67 g/mol
LogP3.63
Rot. Bonds3

About pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride

pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride (PubChem CID 68682751) has the molecular formula C13H9ClF3NO2 and a molecular weight of 303.67 g/mol. Its IUPAC name is pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Namepyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
PubChem CID68682751
Molecular FormulaC13H9ClF3NO2
Molecular Weight303.67 g/mol
Exact Mass303.03
IUPAC Namepyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccncc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H8F3NO2.ClH/c14-13(15,16)19-11-3-1-9(2-4-11)12(18)10-5-7-17-8-6-10;/h1-8H;1H
InChIKeyVZAKRPGMRKEKIP-UHFFFAOYSA-N
XLogP3.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyridine;4-[4-(trifluoromethoxy)benzoyl]benzamide
CID 155345914
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
(3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 53414396
[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl] pyridine-4-carboxylate
CID 175215487
phosphanyl-[4-(trifluoromethoxy)phenyl]methanone
CID 170761962
(5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 115791642
pyridin-4-yl-bis[4-(trifluoromethoxy)phenyl]methanol;hydrochloride
CID 19040918
(3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116628415
[4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 118801497
thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 116628410

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride?
The IUPAC name of pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride (CID 68682751) is pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride.
What is the SMILES notation for pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride?
The canonical SMILES for pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride is Cl.O=C(c1ccncc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride?
The InChIKey is VZAKRPGMRKEKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2.ClH/c14-13(15,16)19-11-3-1-9(2-4-11)12(18)10-5-7-17-8-6-10;/h1-8H;1H.
What are the key properties of pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride?
pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride has a molecular weight of 303.67 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride is sourced from PubChem (CID 68682751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).