2-chloro-5-(trifluoromethyl)pyridine;deuterio(fluoro)methane;methanol;2-[2-[(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine

C58H79ClF10N8O3 — CID 167706262

IUPAC2-chloro-5-(trifluoromethyl)pyridine;deuterio(fluoro)methane;methanol;2-[2-[(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCO.COc1ccc(CN2CCC[C@@H](C)[C@H]2CCc2ccc(C(F)(F)F)cn2)cc1.COc1ccc(CN2CCC[C@@H](C)[C@H]2CN)cc1.C[C@@H]1CCCN[C@@H]1CNc1ccc(C(F)(F)F)cn1.FC(F)(F)c1ccc(Cl)nc1.[2H]CF
InChIInChI=1S/C22H27F3N2O.C15H24N2O.C13H18F3N3.C6H3ClF3N.CH3F.CH4O/c1-16-4-3-13-27(15-17-5-10-20(28-2)11-6-17)21(16)12-9-19-8-7-18(14-26-19)22(23,24)25;1-12-4-3-9-17(15(12)10-16)11-13-5-7-14(18-2)8-6-13;1-9-3-2-6-17-11(9)8-19-12-5-4-10(7-18-12)13(14,15)16;7-5-2-1-4(3-11-5)6(8,9)10;2*1-2/h5-8,10-11,14,16,21H,3-4,9,12-13,15H2,1-2H3;5-8,12,15H,3-4,9-11,16H2,1-2H3;4-5,7,9,11,17H,2-3,6,8H2,1H3,(H,18,19);1-3H;1H3;2H,1H3/t16-,21-;12-,15-;9-,11-;;;/m111.../s1/i;;;;1D;
InChIKeyZDLGKMYJPRTOBF-BGVBBCIMSA-N
MW1162.76 g/mol
LogP13.45
Rot. Bonds13

About 2-chloro-5-(trifluoromethyl)pyridine;deuterio(fluoro)methane;methanol;2-[2-[(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine

2-chloro-5-(trifluoromethyl)pyridine;deuterio(fluoro)methane;methanol;2-[2-[(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 167706262) has the molecular formula C58H79ClF10N8O3 and a molecular weight of 1162.76 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethyl)pyridine;deuterio(fluoro)methane;methanol;2-[2-[(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethyl)pyridine;deuterio(fluoro)methane;methanol;2-[2-[(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID167706262
Molecular FormulaC58H79ClF10N8O3
Molecular Weight1162.76 g/mol
Exact Mass1161.59
IUPAC Name2-chloro-5-(trifluoromethyl)pyridine;deuterio(fluoro)methane;methanol;2-[2-[(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCO.COc1ccc(CN2CCC[C@@H](C)[C@H]2CCc2ccc(C(F)(F)F)cn2)cc1.COc1ccc(CN2CCC[C@@H](C)[C@H]2CN)cc1.C[C@@H]1CCCN[C@@H]1CNc1ccc(C(F)(F)F)cn1.FC(F)(F)c1ccc(Cl)nc1.[2H]CF
InChIInChI=1S/C22H27F3N2O.C15H24N2O.C13H18F3N3.C6H3ClF3N.CH3F.CH4O/c1-16-4-3-13-27(15-17-5-10-20(28-2)11-6-17)21(16)12-9-19-8-7-18(14-26-19)22(23,24)25;1-12-4-3-9-17(15(12)10-16)11-13-5-7-14(18-2)8-6-13;1-9-3-2-6-17-11(9)8-19-12-5-4-10(7-18-12)13(14,15)16;7-5-2-1-4(3-11-5)6(8,9)10;2*1-2/h5-8,10-11,14,16,21H,3-4,9,12-13,15H2,1-2H3;5-8,12,15H,3-4,9-11,16H2,1-2H3;4-5,7,9,11,17H,2-3,6,8H2,1H3,(H,18,19);1-3H;1H3;2H,1H3/t16-,21-;12-,15-;9-,11-;;;/m111.../s1/i;;;;1D;
InChIKeyZDLGKMYJPRTOBF-BGVBBCIMSA-N
XLogP13.45
TPSA133.92 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001162.76
LogP ≤ 513.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-chloro-5-(trifluoromethyl)pyridine;deuterio(fluoro)methane;methanol;2-[2-[(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[[3-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-amine
CID 68405504
4-N-[5-chloro-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405528
4-N-[5-chloro-4-[6-[[4-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405530
4-N-[5-chloro-4-[6-[[3-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 70793961
N-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 170696640
2-N-[4-[[[4-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethoxy]phenyl]methylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 57714636
5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-N-methylperoxysulfanylpyridin-3-amine
CID 57762100
4-N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]pyridin-3-yl]-3-N,3-N-dimethyl-1,1-dioxo-1,2,5-thiadiazole-3,4-diamine
CID 57762177
3-N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]pyridin-3-yl]-1,1-dioxo-1,2,5-thiadiazole-3,4-diamine
CID 57762318
6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine
CID 58127079
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
CID 58127217
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine
CID 58127265

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethyl)pyridine;deuterio(fluoro)methane;methanol;2-[2-[(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 2-chloro-5-(trifluoromethyl)pyridine;deuterio(fluoro)methane;methanol;2-[2-[(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 167706262) is 2-chloro-5-(trifluoromethyl)pyridine;deuterio(fluoro)methane;methanol;2-[2-[(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 2-chloro-5-(trifluoromethyl)pyridine;deuterio(fluoro)methane;methanol;2-[2-[(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 2-chloro-5-(trifluoromethyl)pyridine;deuterio(fluoro)methane;methanol;2-[2-[(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine is CO.COc1ccc(CN2CCC[C@@H](C)[C@H]2CCc2ccc(C(F)(F)F)cn2)cc1.COc1ccc(CN2CCC[C@@H](C)[C@H]2CN)cc1.C[C@@H]1CCCN[C@@H]1CNc1ccc(C(F)(F)F)cn1.FC(F)(F)c1ccc(Cl)nc1.[2H]CF.
What is the InChIKey of 2-chloro-5-(trifluoromethyl)pyridine;deuterio(fluoro)methane;methanol;2-[2-[(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZDLGKMYJPRTOBF-BGVBBCIMSA-N. The full InChI is InChI=1S/C22H27F3N2O.C15H24N2O.C13H18F3N3.C6H3ClF3N.CH3F.CH4O/c1-16-4-3-13-27(15-17-5-10-20(28-2)11-6-17)21(16)12-9-19-8-7-18(14-26-19)22(23,24)25;1-12-4-3-9-17(15(12)10-16)11-13-5-7-14(18-2)8-6-13;1-9-3-2-6-17-11(9)8-19-12-5-4-10(7-18-12)13(14,15)16;7-5-2-1-4(3-11-5)6(8,9)10;2*1-2/h5-8,10-11,14,16,21H,3-4,9,12-13,15H2,1-2H3;5-8,12,15H,3-4,9-11,16H2,1-2H3;4-5,7,9,11,17H,2-3,6,8H2,1H3,(H,18,19);1-3H;1H3;2H,1H3/t16-,21-;12-,15-;9-,11-;;;/m111.../s1/i;;;;1D;.
What are the key properties of 2-chloro-5-(trifluoromethyl)pyridine;deuterio(fluoro)methane;methanol;2-[2-[(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
2-chloro-5-(trifluoromethyl)pyridine;deuterio(fluoro)methane;methanol;2-[2-[(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1162.76 g/mol, XLogP of 13.45, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethyl)pyridine;deuterio(fluoro)methane;methanol;2-[2-[(2R,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]ethyl]-5-(trifluoromethyl)pyridine;[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 167706262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).