2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine;N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine

C34H22BrF12N3O — CID 157482612

IUPAC2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine;N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCOc1ccc(CNc2cc(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)n2)cc1.FC(F)(F)c1ccc(-c2cc(C(F)(F)F)cc(Br)n2)cc1
InChIInChI=1S/C21H16F6N2O.C13H6BrF6N/c1-30-17-8-2-13(3-9-17)12-28-19-11-16(21(25,26)27)10-18(29-19)14-4-6-15(7-5-14)20(22,23)24;14-11-6-9(13(18,19)20)5-10(21-11)7-1-3-8(4-2-7)12(15,16)17/h2-11H,12H2,1H3,(H,28,29);1-6H
InChIKeyBWIIMSMQOHJGAL-UHFFFAOYSA-N
MW796.45 g/mol
LogP11.96
Rot. Bonds6

About 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine;N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine

2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine;N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 157482612) has the molecular formula C34H22BrF12N3O and a molecular weight of 796.45 g/mol. Its IUPAC name is 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine;N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine;N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID157482612
Molecular FormulaC34H22BrF12N3O
Molecular Weight796.45 g/mol
Exact Mass795.08
IUPAC Name2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine;N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCOc1ccc(CNc2cc(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)n2)cc1.FC(F)(F)c1ccc(-c2cc(C(F)(F)F)cc(Br)n2)cc1
InChIInChI=1S/C21H16F6N2O.C13H6BrF6N/c1-30-17-8-2-13(3-9-17)12-28-19-11-16(21(25,26)27)10-18(29-19)14-4-6-15(7-5-14)20(22,23)24;14-11-6-9(13(18,19)20)5-10(21-11)7-1-3-8(4-2-7)12(15,16)17/h2-11H,12H2,1H3,(H,28,29);1-6H
InChIKeyBWIIMSMQOHJGAL-UHFFFAOYSA-N
XLogP11.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.45
LogP ≤ 511.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine;N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine with MolForge

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Related Compounds

N1-(2-bromo-7-(4-methoxyphenyl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 44565802
5-(3-Aminopropylamino)-2-trifluoromethyl-7-(4-methoxyphenyl)-[1,6]naphthyridine
CID 44280404
6-Bromo-N,N-bis(4-methoxybenzyl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 146389326
[6-(Difluoromethyl)-4-(4-methylphenyl)pyrimidin-2-yl][(4-methoxyphenyl)methyl] amine
CID 17388340
N-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
CID 2766444
(4-Methoxy-benzyl)-[4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyridin-2-yl]-amine
CID 57734027
(5-Bromo-6-fluoro-pyridin-2-yl)-(4-methoxy-benzyl)-amine
CID 57963064
4-(1,1-difluoroethyl)-6-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine
CID 59192668
N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-6-(trifluoromethyl)pyridin-2-amine
CID 59192681
2-[(2-Methoxyphenyl)methyl]-1-[6-[4-(trifluoromethoxy)phenyl]pyridin-2-yl]guanidine
CID 67533646
6-[4-(4-fluorophenoxy)phenyl]-N-piperidin-4-ylpyridin-2-amine
CID 68069400
1-N'-[7-(4-methoxyphenyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]propane-1,1-diamine
CID 69402755

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine;N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine;N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 157482612) is 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine;N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine;N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine;N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine is COc1ccc(CNc2cc(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)n2)cc1.FC(F)(F)c1ccc(-c2cc(C(F)(F)F)cc(Br)n2)cc1.
What is the InChIKey of 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine;N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is BWIIMSMQOHJGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F6N2O.C13H6BrF6N/c1-30-17-8-2-13(3-9-17)12-28-19-11-16(21(25,26)27)10-18(29-19)14-4-6-15(7-5-14)20(22,23)24;14-11-6-9(13(18,19)20)5-10(21-11)7-1-3-8(4-2-7)12(15,16)17/h2-11H,12H2,1H3,(H,28,29);1-6H.
What are the key properties of 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine;N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine;N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 796.45 g/mol, XLogP of 11.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine;N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 157482612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).