4-chloro-2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)pyridine;4-[[2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2,4-dichloro-5-(trifluoromethyl)pyridine

C39H24Cl5F11N6O2 — CID 159203345

IUPAC4-chloro-2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)pyridine;4-[[2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2,4-dichloro-5-(trifluoromethyl)pyridine
SMILESC[C@H](O)CNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1C(F)(F)F.FC(F)(F)c1cnc(Cl)cc1Cl.Fc1ccc(Cl)cc1-c1cc(Cl)c(C(F)(F)F)cn1
InChIInChI=1S/C21H17ClF4N4O2.C12H5Cl2F4N.C6H2Cl2F3N/c1-11(31)8-29-20(32)14-9-27-5-4-17(14)30-19-7-18(28-10-15(19)21(24,25)26)13-6-12(22)2-3-16(13)23;13-6-1-2-10(15)7(3-6)11-4-9(14)8(5-19-11)12(16,17)18;7-4-1-5(8)12-2-3(4)6(9,10)11/h2-7,9-11,31H,8H2,1H3,(H,29,32)(H,27,28,30);1-5H;1-2H/t11-;;/m0../s1
InChIKeyKPOMIPUCANKROO-IDMXKUIJSA-N
MW994.90 g/mol
LogP13.43
Rot. Bonds7

About 4-chloro-2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)pyridine;4-[[2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2,4-dichloro-5-(trifluoromethyl)pyridine

4-chloro-2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)pyridine;4-[[2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2,4-dichloro-5-(trifluoromethyl)pyridine (PubChem CID 159203345) has the molecular formula C39H24Cl5F11N6O2 and a molecular weight of 994.90 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)pyridine;4-[[2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2,4-dichloro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-chloro-2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)pyridine;4-[[2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2,4-dichloro-5-(trifluoromethyl)pyridine
PubChem CID159203345
Molecular FormulaC39H24Cl5F11N6O2
Molecular Weight994.90 g/mol
Exact Mass992.02
IUPAC Name4-chloro-2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)pyridine;4-[[2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2,4-dichloro-5-(trifluoromethyl)pyridine
SMILESC[C@H](O)CNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1C(F)(F)F.FC(F)(F)c1cnc(Cl)cc1Cl.Fc1ccc(Cl)cc1-c1cc(Cl)c(C(F)(F)F)cn1
InChIInChI=1S/C21H17ClF4N4O2.C12H5Cl2F4N.C6H2Cl2F3N/c1-11(31)8-29-20(32)14-9-27-5-4-17(14)30-19-7-18(28-10-15(19)21(24,25)26)13-6-12(22)2-3-16(13)23;13-6-1-2-10(15)7(3-6)11-4-9(14)8(5-19-11)12(16,17)18;7-4-1-5(8)12-2-3(4)6(9,10)11/h2-7,9-11,31H,8H2,1H3,(H,29,32)(H,27,28,30);1-5H;1-2H/t11-;;/m0../s1
InChIKeyKPOMIPUCANKROO-IDMXKUIJSA-N
XLogP13.43
TPSA112.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500994.90
LogP ≤ 513.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)pyridine;4-[[2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2,4-dichloro-5-(trifluoromethyl)pyridine with MolForge

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Related Compounds

4-((2-(5-Chloro-2-fluorophenyl)-5-isopropylpyridin-4-yl)amino)-N-(1,3-dihydroxypropan-2-yl)nicotinamide
CID 118211239
Synthesis of (S)-4-(2-(5-chloro-2-fluorophenyl)-5-ethylpyridin-4-ylamino)-N-(2-hydroxy propyl)nicotinamide
CID 91820701
Synthesis of 4-{[2-(5-chloro-2-fluorophenyl)-5-(pyrrolidin-1-yl)pyridin-4-yl]amino}-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
CID 118211070
Synthesis of N-(2-acetamidoethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]pyridine-3-carboxamide
CID 118211175
Synthesis of (S)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]-N-(2-hydroxy propyl)pyridine-3-carboxamide
CID 118219043
Synthesis of (S)-4-(2-(5-chloro-2-fluorophenyl)-5-isopropylpyridin-4-ylamino)-N-(1-hydroxypropan-2-yl)nicotinamide
CID 118219083
4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-pyridyl]amino]-N-(2-hydroxy-1-methyl-ethyl)pyridine-3-carboxamide
CID 118211059
Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-pyridyl]amino]-N-cyclopropyl-pyridine-3-carboxamide
CID 118211095
Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-pyridyl]amino]-N-(2-hydroxy ethyl)pyridine-3-carboxamide
CID 118211139
Synthesis of 4-[[5-bromo-2-(5-chloro-2-fluoro-phenyl)-4-pyridyl]amino]-N-(2-hydroxypropyl) pyridine-3-carboxamide
CID 118211190
Synthesis of 4-{[2-(5-chloro-2-fluorophenyl)-5-cyclopropylpyridin-4-yl]amino}-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 118211307
Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropenyl-4-pyridyl]amino]-N-(2-hydroxy-1,1-dimethyl-ethyl)pyridine-3-carboxamide
CID 118211328

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)pyridine;4-[[2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2,4-dichloro-5-(trifluoromethyl)pyridine?
The IUPAC name of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)pyridine;4-[[2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2,4-dichloro-5-(trifluoromethyl)pyridine (CID 159203345) is 4-chloro-2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)pyridine;4-[[2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2,4-dichloro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-chloro-2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)pyridine;4-[[2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2,4-dichloro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 4-chloro-2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)pyridine;4-[[2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2,4-dichloro-5-(trifluoromethyl)pyridine is C[C@H](O)CNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1C(F)(F)F.FC(F)(F)c1cnc(Cl)cc1Cl.Fc1ccc(Cl)cc1-c1cc(Cl)c(C(F)(F)F)cn1.
What is the InChIKey of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)pyridine;4-[[2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2,4-dichloro-5-(trifluoromethyl)pyridine?
The InChIKey is KPOMIPUCANKROO-IDMXKUIJSA-N. The full InChI is InChI=1S/C21H17ClF4N4O2.C12H5Cl2F4N.C6H2Cl2F3N/c1-11(31)8-29-20(32)14-9-27-5-4-17(14)30-19-7-18(28-10-15(19)21(24,25)26)13-6-12(22)2-3-16(13)23;13-6-1-2-10(15)7(3-6)11-4-9(14)8(5-19-11)12(16,17)18;7-4-1-5(8)12-2-3(4)6(9,10)11/h2-7,9-11,31H,8H2,1H3,(H,29,32)(H,27,28,30);1-5H;1-2H/t11-;;/m0../s1.
What are the key properties of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)pyridine;4-[[2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2,4-dichloro-5-(trifluoromethyl)pyridine?
4-chloro-2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)pyridine;4-[[2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2,4-dichloro-5-(trifluoromethyl)pyridine has a molecular weight of 994.90 g/mol, XLogP of 13.43, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)pyridine;4-[[2-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;2,4-dichloro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 159203345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).