2-bromo-5-[4-(trifluoromethoxy)phenyl]pyridine;2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyridine;1-(4-chloro-2-fluorophenyl)-3-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone;5-[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde

C108H71BrCl4F22N10O11 — CID 161401137

IUPAC2-bromo-5-[4-(trifluoromethoxy)phenyl]pyridine;2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyridine;1-(4-chloro-2-fluorophenyl)-3-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone;5-[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
SMILESFC(F)(F)Oc1ccc(-c2ccc(Br)nc2)cc1.Fc1cc(Cl)ccc1CC1(c2ccc(-c3ccc(OC(F)(F)F)cc3)cn2)CO1.O=C(Cc1ccc(Cl)cc1F)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.O=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.OC(Cc1ccc(Cl)cc1F)(Cn1cnnn1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.OC(Cc1ccc(Cl)cc1F)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C22H16ClF4N5O2.C21H14ClF4NO2.C20H14ClF4NO2.C20H12ClF4NO2.C13H8F3NO2.C12H7BrF3NO/c23-17-5-1-15(19(24)9-17)10-21(33,12-32-13-29-30-31-32)20-8-4-16(11-28-20)14-2-6-18(7-3-14)34-22(25,26)27;22-16-5-1-14(18(23)9-16)10-20(12-28-20)19-8-4-15(11-27-19)13-2-6-17(7-3-13)29-21(24,25)26;2*21-15-5-1-13(17(22)10-15)9-19(27)18-8-4-14(11-26-18)12-2-6-16(7-3-12)28-20(23,24)25;14-13(15,16)19-12-5-2-9(3-6-12)10-1-4-11(8-18)17-7-10;13-11-6-3-9(7-17-11)8-1-4-10(5-2-8)18-12(14,15)16/h1-9,11,13,33H,10,12H2;1-9,11H,10,12H2;1-8,10-11,19,27H,9H2;1-8,10-11H,9H2;1-8H;1-7H
InChIKeyVUGGFCOBRSIEKD-UHFFFAOYSA-N
MW2324.49 g/mol
LogP29.91
Rot. Bonds27

About 2-bromo-5-[4-(trifluoromethoxy)phenyl]pyridine;2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyridine;1-(4-chloro-2-fluorophenyl)-3-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone;5-[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde

2-bromo-5-[4-(trifluoromethoxy)phenyl]pyridine;2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyridine;1-(4-chloro-2-fluorophenyl)-3-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone;5-[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde (PubChem CID 161401137) has the molecular formula C108H71BrCl4F22N10O11 and a molecular weight of 2324.49 g/mol. Its IUPAC name is 2-bromo-5-[4-(trifluoromethoxy)phenyl]pyridine;2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyridine;1-(4-chloro-2-fluorophenyl)-3-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone;5-[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name2-bromo-5-[4-(trifluoromethoxy)phenyl]pyridine;2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyridine;1-(4-chloro-2-fluorophenyl)-3-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone;5-[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
PubChem CID161401137
Molecular FormulaC108H71BrCl4F22N10O11
Molecular Weight2324.49 g/mol
Exact Mass2320.29
IUPAC Name2-bromo-5-[4-(trifluoromethoxy)phenyl]pyridine;2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyridine;1-(4-chloro-2-fluorophenyl)-3-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone;5-[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
SMILESFC(F)(F)Oc1ccc(-c2ccc(Br)nc2)cc1.Fc1cc(Cl)ccc1CC1(c2ccc(-c3ccc(OC(F)(F)F)cc3)cn2)CO1.O=C(Cc1ccc(Cl)cc1F)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.O=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.OC(Cc1ccc(Cl)cc1F)(Cn1cnnn1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.OC(Cc1ccc(Cl)cc1F)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C22H16ClF4N5O2.C21H14ClF4NO2.C20H14ClF4NO2.C20H12ClF4NO2.C13H8F3NO2.C12H7BrF3NO/c23-17-5-1-15(19(24)9-17)10-21(33,12-32-13-29-30-31-32)20-8-4-16(11-28-20)14-2-6-18(7-3-14)34-22(25,26)27;22-16-5-1-14(18(23)9-16)10-20(12-28-20)19-8-4-15(11-27-19)13-2-6-17(7-3-13)29-21(24,25)26;2*21-15-5-1-13(17(22)10-15)9-19(27)18-8-4-14(11-26-18)12-2-6-16(7-3-12)28-20(23,24)25;14-13(15,16)19-12-5-2-9(3-6-12)10-1-4-11(8-18)17-7-10;13-11-6-3-9(7-17-11)8-1-4-10(5-2-8)18-12(14,15)16/h1-9,11,13,33H,10,12H2;1-9,11H,10,12H2;1-8,10-11,19,27H,9H2;1-8,10-11H,9H2;1-8H;1-7H
InChIKeyVUGGFCOBRSIEKD-UHFFFAOYSA-N
XLogP29.91
TPSA263.45 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002324.49
LogP ≤ 529.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-bromo-5-[4-(trifluoromethoxy)phenyl]pyridine;2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyridine;1-(4-chloro-2-fluorophenyl)-3-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone;5-[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde 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

(6-Bromo-3-pyridinyl)boronic acid;2-bromo-5-[4-(trifluoromethoxy)phenyl]pyridine;2-(2-tert-butyloxiran-2-yl)-5-[4-(trifluoromethoxy)phenyl]pyridine;3,3-dimethyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol;2,2-dimethyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-ol;2,2-dimethyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one;1-iodo-4-(trifluoromethoxy)benzene
CID 159217895
1-(Bromomethyl)-4-chloro-2-fluorobenzene;2-(4-chloro-2-fluorophenyl)-1-[5-(4-chlorophenoxy)-2-pyridinyl]ethanol;2-(4-chloro-2-fluorophenyl)-1-[5-(4-chlorophenoxy)-2-pyridinyl]ethanone;1-(4-chloro-2-fluorophenyl)-2-[5-(4-chlorophenoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol;2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-(4-chlorophenoxy)pyridine;4-chlorophenol;5-(4-chlorophenoxy)pyridine-2-carbaldehyde;5-(4-chlorophenoxy)pyridine-2-carbonitrile;5-fluoropyridine-2-carbonitrile
CID 159244491
2-bromo-5-[(5-chloro-2-pyridinyl)oxy]pyridine;5-chloro-2-[[6-[2-[2-(2,4-difluorophenyl)ethyl]oxiran-2-yl]-3-pyridinyl]oxy]pyridine;1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-3-(2,4-difluorophenyl)propan-1-one;2-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-4-(2,4-difluorophenyl)-1-(tetrazol-1-yl)butan-2-ol;3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide;3-(2,4-difluorophenyl)propanoic acid
CID 160694256

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[4-(trifluoromethoxy)phenyl]pyridine;2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyridine;1-(4-chloro-2-fluorophenyl)-3-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone;5-[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
The IUPAC name of 2-bromo-5-[4-(trifluoromethoxy)phenyl]pyridine;2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyridine;1-(4-chloro-2-fluorophenyl)-3-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone;5-[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde (CID 161401137) is 2-bromo-5-[4-(trifluoromethoxy)phenyl]pyridine;2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyridine;1-(4-chloro-2-fluorophenyl)-3-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone;5-[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 2-bromo-5-[4-(trifluoromethoxy)phenyl]pyridine;2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyridine;1-(4-chloro-2-fluorophenyl)-3-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone;5-[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
The canonical SMILES for 2-bromo-5-[4-(trifluoromethoxy)phenyl]pyridine;2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyridine;1-(4-chloro-2-fluorophenyl)-3-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone;5-[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde is FC(F)(F)Oc1ccc(-c2ccc(Br)nc2)cc1.Fc1cc(Cl)ccc1CC1(c2ccc(-c3ccc(OC(F)(F)F)cc3)cn2)CO1.O=C(Cc1ccc(Cl)cc1F)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.O=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.OC(Cc1ccc(Cl)cc1F)(Cn1cnnn1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.OC(Cc1ccc(Cl)cc1F)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of 2-bromo-5-[4-(trifluoromethoxy)phenyl]pyridine;2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyridine;1-(4-chloro-2-fluorophenyl)-3-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone;5-[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
The InChIKey is VUGGFCOBRSIEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF4N5O2.C21H14ClF4NO2.C20H14ClF4NO2.C20H12ClF4NO2.C13H8F3NO2.C12H7BrF3NO/c23-17-5-1-15(19(24)9-17)10-21(33,12-32-13-29-30-31-32)20-8-4-16(11-28-20)14-2-6-18(7-3-14)34-22(25,26)27;22-16-5-1-14(18(23)9-16)10-20(12-28-20)19-8-4-15(11-27-19)13-2-6-17(7-3-13)29-21(24,25)26;2*21-15-5-1-13(17(22)10-15)9-19(27)18-8-4-14(11-26-18)12-2-6-16(7-3-12)28-20(23,24)25;14-13(15,16)19-12-5-2-9(3-6-12)10-1-4-11(8-18)17-7-10;13-11-6-3-9(7-17-11)8-1-4-10(5-2-8)18-12(14,15)16/h1-9,11,13,33H,10,12H2;1-9,11H,10,12H2;1-8,10-11,19,27H,9H2;1-8,10-11H,9H2;1-8H;1-7H.
What are the key properties of 2-bromo-5-[4-(trifluoromethoxy)phenyl]pyridine;2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyridine;1-(4-chloro-2-fluorophenyl)-3-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone;5-[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde?
2-bromo-5-[4-(trifluoromethoxy)phenyl]pyridine;2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyridine;1-(4-chloro-2-fluorophenyl)-3-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone;5-[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde has a molecular weight of 2324.49 g/mol, XLogP of 29.91, 27 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[4-(trifluoromethoxy)phenyl]pyridine;2-[2-[(4-chloro-2-fluorophenyl)methyl]oxiran-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyridine;1-(4-chloro-2-fluorophenyl)-3-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanol;2-(4-chloro-2-fluorophenyl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]ethanone;5-[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 161401137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).