3-bromo-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-ethyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;N-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide;1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propan-1-one;2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine

C81H67BrF18N14O4 — CID 158290343

IUPAC3-bromo-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-ethyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;N-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide;1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propan-1-one;2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
SMILESCCC(=O)Nc1cccnc1Nc1cccc(C(F)(F)F)c1.CCC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1.CCc1cccnc1Nc1cccc(C(F)(F)F)c1.FC(F)(F)c1cccc(Nc2ncccc2Br)c1.Nc1cccnc1Nc1cccc(C(F)(F)F)c1.O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3N3O.C15H13F3N2O.C14H13F3N2.C13H9F3N2O2.C12H8BrF3N2.C12H10F3N3/c1-2-13(22)21-12-7-4-8-19-14(12)20-11-6-3-5-10(9-11)15(16,17)18;1-2-13(21)12-7-4-8-19-14(12)20-11-6-3-5-10(9-11)15(16,17)18;1-2-10-5-4-8-18-13(10)19-12-7-3-6-11(9-12)14(15,16)17;14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11;13-10-5-2-6-17-11(10)18-9-4-1-3-8(7-9)12(14,15)16;13-12(14,15)8-3-1-4-9(7-8)18-11-10(16)5-2-6-17-11/h3-9H,2H2,1H3,(H,19,20)(H,21,22);3-9H,2H2,1H3,(H,19,20);3-9H,2H2,1H3,(H,18,19);1-7H,(H,17,18)(H,19,20);1-7H,(H,17,18);1-7H,16H2,(H,17,18)
InChIKeyGLGSUCYTGIHWLW-UHFFFAOYSA-N
MW1722.39 g/mol
LogP24.61
Rot. Bonds18

About 3-bromo-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-ethyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;N-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide;1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propan-1-one;2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine

3-bromo-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-ethyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;N-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide;1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propan-1-one;2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine (PubChem CID 158290343) has the molecular formula C81H67BrF18N14O4 and a molecular weight of 1722.39 g/mol. Its IUPAC name is 3-bromo-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-ethyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;N-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide;1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propan-1-one;2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-bromo-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-ethyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;N-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide;1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propan-1-one;2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
PubChem CID158290343
Molecular FormulaC81H67BrF18N14O4
Molecular Weight1722.39 g/mol
Exact Mass1720.44
IUPAC Name3-bromo-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-ethyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;N-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide;1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propan-1-one;2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
SMILESCCC(=O)Nc1cccnc1Nc1cccc(C(F)(F)F)c1.CCC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1.CCc1cccnc1Nc1cccc(C(F)(F)F)c1.FC(F)(F)c1cccc(Nc2ncccc2Br)c1.Nc1cccnc1Nc1cccc(C(F)(F)F)c1.O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3N3O.C15H13F3N2O.C14H13F3N2.C13H9F3N2O2.C12H8BrF3N2.C12H10F3N3/c1-2-13(22)21-12-7-4-8-19-14(12)20-11-6-3-5-10(9-11)15(16,17)18;1-2-13(21)12-7-4-8-19-14(12)20-11-6-3-5-10(9-11)15(16,17)18;1-2-10-5-4-8-18-13(10)19-12-7-3-6-11(9-12)14(15,16)17;14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11;13-10-5-2-6-17-11(10)18-9-4-1-3-8(7-9)12(14,15)16;13-12(14,15)8-3-1-4-9(7-8)18-11-10(16)5-2-6-17-11/h3-9H,2H2,1H3,(H,19,20)(H,21,22);3-9H,2H2,1H3,(H,19,20);3-9H,2H2,1H3,(H,18,19);1-7H,(H,17,18)(H,19,20);1-7H,(H,17,18);1-7H,16H2,(H,17,18)
InChIKeyGLGSUCYTGIHWLW-UHFFFAOYSA-N
XLogP24.61
TPSA259.01 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001722.39
LogP ≤ 524.61
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

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Related Compounds

Copper, tetrakis(mu-(2-((3-trifluoromethyl)phenyl)amino)-3-pyridinecarboxylate-O:O')di-, (cu-Cu)-
CID 85470839
4-Pyridin-4-ylpyridine;bis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid)
CID 139147798
Copper;bis(pyridine-4-carboxamide);bis(2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate)
CID 168349844
Bis(3-pyridinemethanol-N(1))bis(2-((3-(trifluoromethyl)phenyl)amino)-3-pyridinecarboxylato-N(2),O(3))copper
CID 148128
3-bromo-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;2-diethoxyphosphorylacetic acid;N-(2-diethoxyphosphorylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide;5-diethoxyphosphorylpent-1-yne;3-(5-diethoxyphosphorylpent-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;2-diethoxyphosphoryl-N-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]acetamide;palladium;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine;tetrakis(triphenylphosphane)
CID 157243993
CID 157874595
CID 157874595
6-amino-4-methyl-1H-quinolin-2-one;tris(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;3-fluoropyrrolidine;2-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;dihydrochloride
CID 158646428
Magnesium;carbanide;2-[6-[4-[8-(4-isocyanophenyl)-4-(trifluoromethyl)quinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol;methyl 6-[4-[4-bromo-8-(4-isocyanophenyl)quinolin-3-yl]piperazin-1-yl]pyridine-3-carboxylate;methyl 6-[4-[8-(4-isocyanophenyl)-4-(trifluoromethyl)quinolin-3-yl]piperazin-1-yl]pyridine-3-carboxylate
CID 158999023
5-bromo-N-(3-methylphenyl)pyridine-3-carboxamide;5-bromopyridine-3-carboxylic acid;ethyl prop-2-enoate;ethyl (E)-3-[5-[[3-(trifluoromethyl)phenyl]carbamoyl]-3-pyridinyl]prop-2-enoate;3-methylaniline;(E)-3-[5-[[3-(trifluoromethyl)phenyl]carbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 159860628
(E)-3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]prop-2-enoic acid;6-(ethylcarbamoylamino)-4-(4-fluoroanilino)-N-pyridin-3-ylpyridine-3-carboxamide;6-(ethylcarbamoylamino)-4-(4-methylanilino)-N-pyridin-3-ylpyridine-3-carboxamide;3-[4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]phenyl]propanoic acid;6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 160313588
2-Aminopyridine-3-carboxylic acid;2-(1-bromoethyl)-3-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one;2-ethyl-3-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one;2-ethylpyrido[2,3-d][1,3]oxazin-4-one;3-(4-fluorophenyl)-2-[1-(methylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;1-[1-[3-(4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
CID 160981598
N-(4-acetyl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;N-[4-(1-hydroxyethyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 161350558

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-ethyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;N-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide;1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propan-1-one;2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
The IUPAC name of 3-bromo-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-ethyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;N-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide;1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propan-1-one;2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine (CID 158290343) is 3-bromo-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-ethyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;N-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide;1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propan-1-one;2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine.
What is the SMILES notation for 3-bromo-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-ethyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;N-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide;1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propan-1-one;2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
The canonical SMILES for 3-bromo-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-ethyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;N-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide;1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propan-1-one;2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine is CCC(=O)Nc1cccnc1Nc1cccc(C(F)(F)F)c1.CCC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1.CCc1cccnc1Nc1cccc(C(F)(F)F)c1.FC(F)(F)c1cccc(Nc2ncccc2Br)c1.Nc1cccnc1Nc1cccc(C(F)(F)F)c1.O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-bromo-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-ethyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;N-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide;1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propan-1-one;2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
The InChIKey is GLGSUCYTGIHWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O.C15H13F3N2O.C14H13F3N2.C13H9F3N2O2.C12H8BrF3N2.C12H10F3N3/c1-2-13(22)21-12-7-4-8-19-14(12)20-11-6-3-5-10(9-11)15(16,17)18;1-2-13(21)12-7-4-8-19-14(12)20-11-6-3-5-10(9-11)15(16,17)18;1-2-10-5-4-8-18-13(10)19-12-7-3-6-11(9-12)14(15,16)17;14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11;13-10-5-2-6-17-11(10)18-9-4-1-3-8(7-9)12(14,15)16;13-12(14,15)8-3-1-4-9(7-8)18-11-10(16)5-2-6-17-11/h3-9H,2H2,1H3,(H,19,20)(H,21,22);3-9H,2H2,1H3,(H,19,20);3-9H,2H2,1H3,(H,18,19);1-7H,(H,17,18)(H,19,20);1-7H,(H,17,18);1-7H,16H2,(H,17,18).
What are the key properties of 3-bromo-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-ethyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;N-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide;1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propan-1-one;2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine?
3-bromo-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-ethyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;N-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide;1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propan-1-one;2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine has a molecular weight of 1722.39 g/mol, XLogP of 24.61, 18 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;3-ethyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid;N-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide;1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]propan-1-one;2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine is sourced from PubChem (CID 158290343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).