5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine

C124H170ClF4N19O5 — CID 162117355

IUPAC5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(=O)Nc1ccc(C(C)C)cc1C.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(N=[N+]=[N-])cn1.CC(C)c1cccc(N)n1.CC(C)c1cccc[n+]1[O-].CC(C)c1cncc(C(N)=O)c1.COc1ccc(C(C)C)nc1.COc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1
InChIInChI=1S/C12H17NO.C9H10F3N.C9H12N2O.2C9H13NO.4C9H13N.C8H10ClN.C8H10FN.C8H10N4.C8H12N2.C8H11NO/c1-8(2)11-5-6-12(9(3)7-11)13-10(4)14;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-8(9(10)12)5-11-4-7;2*1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;2*1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-4-3-7(5-10-8)11-12-9;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-5-3-4-6-9(8)10/h5-8H,1-4H3,(H,13,14);3-6H,1-2H3;3-6H,1-2H3,(H2,10,12);2*4-7H,1-3H3;4*4-7H,1-3H3;2*3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3,(H2,9,10);3-7H,1-2H3
InChIKeyZGYGASOODJUPAM-UHFFFAOYSA-N
MW2118.30 g/mol
LogP33.67
Rot. Bonds19

About 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine

5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 162117355) has the molecular formula C124H170ClF4N19O5 and a molecular weight of 2118.30 g/mol. Its IUPAC name is 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine
PubChem CID162117355
Molecular FormulaC124H170ClF4N19O5
Molecular Weight2118.30 g/mol
Exact Mass2116.33
IUPAC Name5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(=O)Nc1ccc(C(C)C)cc1C.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(N=[N+]=[N-])cn1.CC(C)c1cccc(N)n1.CC(C)c1cccc[n+]1[O-].CC(C)c1cncc(C(N)=O)c1.COc1ccc(C(C)C)nc1.COc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1
InChIInChI=1S/C12H17NO.C9H10F3N.C9H12N2O.2C9H13NO.4C9H13N.C8H10ClN.C8H10FN.C8H10N4.C8H12N2.C8H11NO/c1-8(2)11-5-6-12(9(3)7-11)13-10(4)14;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-8(9(10)12)5-11-4-7;2*1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;2*1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-4-3-7(5-10-8)11-12-9;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-5-3-4-6-9(8)10/h5-8H,1-4H3,(H,13,14);3-6H,1-2H3;3-6H,1-2H3,(H2,10,12);2*4-7H,1-3H3;4*4-7H,1-3H3;2*3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3,(H2,9,10);3-7H,1-2H3
InChIKeyZGYGASOODJUPAM-UHFFFAOYSA-N
XLogP33.67
TPSA347.05 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002118.30
LogP ≤ 533.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

5-Azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 158974390
N-(3-chlorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-[3-(1,1-difluoroethyl)phenyl]-6-(phenoxymethyl)pyridine-3-carboxamide;N-(2,3-difluorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(2-fluoro-4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(3-fluoro-2-pyridinyl)-6-(phenoxymethyl)pyridine-3-carboxamide;N-(4-methylphenyl)-6-(phenoxymethyl)pyridine-3-carboxamide
CID 159101247
5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;tris(5-methyl-2-propan-2-ylpyridine);1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 161208096
5-Chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;methane;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine
CID 160382663

Frequently Asked Questions

What is the IUPAC name of 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine (CID 162117355) is 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine is CC(=O)Nc1ccc(C(C)C)cc1C.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(N=[N+]=[N-])cn1.CC(C)c1cccc(N)n1.CC(C)c1cccc[n+]1[O-].CC(C)c1cncc(C(N)=O)c1.COc1ccc(C(C)C)nc1.COc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.
What is the InChIKey of 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is ZGYGASOODJUPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C9H10F3N.C9H12N2O.2C9H13NO.4C9H13N.C8H10ClN.C8H10FN.C8H10N4.C8H12N2.C8H11NO/c1-8(2)11-5-6-12(9(3)7-11)13-10(4)14;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-8(9(10)12)5-11-4-7;2*1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;2*1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-4-3-7(5-10-8)11-12-9;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-5-3-4-6-9(8)10/h5-8H,1-4H3,(H,13,14);3-6H,1-2H3;3-6H,1-2H3,(H2,10,12);2*4-7H,1-3H3;4*4-7H,1-3H3;2*3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3,(H2,9,10);3-7H,1-2H3.
What are the key properties of 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine?
5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 2118.30 g/mol, XLogP of 33.67, 19 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;bis(5-methoxy-2-propan-2-ylpyridine);N-(2-methyl-4-propan-2-ylphenyl)acetamide;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 162117355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).