2-(difluoromethyl)-6-(2-methylpropyl)-4-propan-2-ylpyridine;N,N-dimethyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;1-hydroxy-2-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium;N-methyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;methyl 6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylate;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carbonitrile;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylic acid;[6-(2-methylpropyl)-4-propan-2-yl-2-pyridinyl]methanol

C107H164F2N11O8+ — CID 161352561

IUPAC2-(difluoromethyl)-6-(2-methylpropyl)-4-propan-2-ylpyridine;N,N-dimethyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;1-hydroxy-2-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium;N-methyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;methyl 6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylate;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carbonitrile;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylic acid;[6-(2-methylpropyl)-4-propan-2-yl-2-pyridinyl]methanol
SMILESCC(C)Cc1cc(C(C)C)cc(C#N)n1.CC(C)Cc1cc(C(C)C)cc(C(=O)N(C)C)n1.CC(C)Cc1cc(C(C)C)cc(C(=O)O)n1.CC(C)Cc1cc(C(C)C)cc(C(F)F)n1.CC(C)Cc1cc(C(C)C)cc(CO)n1.CC(C)Cc1cc(C(C)C)cc[n+]1O.CNC(=O)c1cc(C(C)C)cc(CC(C)C)n1.COC(=O)c1cc(C(C)C)cc(CC(C)C)n1
InChIInChI=1S/C15H24N2O.C14H22N2O.C14H21NO2.C13H19F2N.C13H18N2.C13H19NO2.C13H21NO.C12H20NO/c1-10(2)7-13-8-12(11(3)4)9-14(16-13)15(18)17(5)6;1-9(2)6-12-7-11(10(3)4)8-13(16-12)14(17)15-5;1-9(2)6-12-7-11(10(3)4)8-13(15-12)14(16)17-5;1-8(2)5-11-6-10(9(3)4)7-12(16-11)13(14)15;1-9(2)5-12-6-11(10(3)4)7-13(8-14)15-12;1-8(2)5-11-6-10(9(3)4)7-12(14-11)13(15)16;1-9(2)5-12-6-11(10(3)4)7-13(8-15)14-12;1-9(2)7-12-8-11(10(3)4)5-6-13(12)14/h8-11H,7H2,1-6H3;7-10H,6H2,1-5H3,(H,15,17);7-10H,6H2,1-5H3;6-9,13H,5H2,1-4H3;6-7,9-10H,5H2,1-4H3;6-9H,5H2,1-4H3,(H,15,16);6-7,9-10,15H,5,8H2,1-4H3;5-6,8-10,14H,7H2,1-4H3/q;;;;;;;+1
InChIKeyKEYNOOJBAPVUPC-UHFFFAOYSA-N
MW1770.55 g/mol
LogP25.21
Rot. Bonds30

About 2-(difluoromethyl)-6-(2-methylpropyl)-4-propan-2-ylpyridine;N,N-dimethyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;1-hydroxy-2-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium;N-methyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;methyl 6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylate;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carbonitrile;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylic acid;[6-(2-methylpropyl)-4-propan-2-yl-2-pyridinyl]methanol

2-(difluoromethyl)-6-(2-methylpropyl)-4-propan-2-ylpyridine;N,N-dimethyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;1-hydroxy-2-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium;N-methyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;methyl 6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylate;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carbonitrile;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylic acid;[6-(2-methylpropyl)-4-propan-2-yl-2-pyridinyl]methanol (PubChem CID 161352561) has the molecular formula C107H164F2N11O8+ and a molecular weight of 1770.55 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-(2-methylpropyl)-4-propan-2-ylpyridine;N,N-dimethyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;1-hydroxy-2-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium;N-methyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;methyl 6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylate;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carbonitrile;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylic acid;[6-(2-methylpropyl)-4-propan-2-yl-2-pyridinyl]methanol.

Molecular Properties

Compound Name2-(difluoromethyl)-6-(2-methylpropyl)-4-propan-2-ylpyridine;N,N-dimethyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;1-hydroxy-2-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium;N-methyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;methyl 6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylate;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carbonitrile;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylic acid;[6-(2-methylpropyl)-4-propan-2-yl-2-pyridinyl]methanol
PubChem CID161352561
Molecular FormulaC107H164F2N11O8+
Molecular Weight1770.55 g/mol
Exact Mass1769.27
IUPAC Name2-(difluoromethyl)-6-(2-methylpropyl)-4-propan-2-ylpyridine;N,N-dimethyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;1-hydroxy-2-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium;N-methyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;methyl 6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylate;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carbonitrile;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylic acid;[6-(2-methylpropyl)-4-propan-2-yl-2-pyridinyl]methanol
SMILESCC(C)Cc1cc(C(C)C)cc(C#N)n1.CC(C)Cc1cc(C(C)C)cc(C(=O)N(C)C)n1.CC(C)Cc1cc(C(C)C)cc(C(=O)O)n1.CC(C)Cc1cc(C(C)C)cc(C(F)F)n1.CC(C)Cc1cc(C(C)C)cc(CO)n1.CC(C)Cc1cc(C(C)C)cc[n+]1O.CNC(=O)c1cc(C(C)C)cc(CC(C)C)n1.COC(=O)c1cc(C(C)C)cc(CC(C)C)n1
InChIInChI=1S/C15H24N2O.C14H22N2O.C14H21NO2.C13H19F2N.C13H18N2.C13H19NO2.C13H21NO.C12H20NO/c1-10(2)7-13-8-12(11(3)4)9-14(16-13)15(18)17(5)6;1-9(2)6-12-7-11(10(3)4)8-13(16-12)14(17)15-5;1-9(2)6-12-7-11(10(3)4)8-13(15-12)14(16)17-5;1-8(2)5-11-6-10(9(3)4)7-12(16-11)13(14)15;1-9(2)5-12-6-11(10(3)4)7-13(8-14)15-12;1-8(2)5-11-6-10(9(3)4)7-12(14-11)13(15)16;1-9(2)5-12-6-11(10(3)4)7-13(8-15)14-12;1-9(2)7-12-8-11(10(3)4)5-6-13(12)14/h8-11H,7H2,1-6H3;7-10H,6H2,1-5H3,(H,15,17);7-10H,6H2,1-5H3;6-9,13H,5H2,1-4H3;6-7,9-10H,5H2,1-4H3;6-9H,5H2,1-4H3,(H,15,16);6-7,9-10,15H,5,8H2,1-4H3;5-6,8-10,14H,7H2,1-4H3/q;;;;;;;+1
InChIKeyKEYNOOJBAPVUPC-UHFFFAOYSA-N
XLogP25.21
TPSA271.37 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001770.55
LogP ≤ 525.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(difluoromethyl)-6-(2-methylpropyl)-4-propan-2-ylpyridine;N,N-dimethyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;1-hydroxy-2-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium;N-methyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;methyl 6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylate;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carbonitrile;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylic acid;[6-(2-methylpropyl)-4-propan-2-yl-2-pyridinyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130096001
ethane;methyl 6-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethynyl]pyridine-2-carboxylate
CID 144670022
methyl 6-(hydroxymethyl)-4-prop-1-ynylpyridine-2-carboxylate
CID 134350178
methyl 6-(hydroxymethyl)-4-methylpyridine-2-carboxylate
CID 72942071
ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate
CID 142291792
methyl 6-(hydroxymethyl)-4-iodopyridine-2-carboxylate
CID 70862034
6-methoxy-N-methyl-4-propan-2-ylquinoline-2-carboxamide
CID 167327578
methyl 6-cyano-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133106205
methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate
CID 133107066
methyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671057
6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide
CID 59410646
2-chloro-6-(dimethylcarbamoyl)pyrimidine-4-carboxylic acid
CID 58916623

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-(2-methylpropyl)-4-propan-2-ylpyridine;N,N-dimethyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;1-hydroxy-2-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium;N-methyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;methyl 6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylate;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carbonitrile;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylic acid;[6-(2-methylpropyl)-4-propan-2-yl-2-pyridinyl]methanol?
The IUPAC name of 2-(difluoromethyl)-6-(2-methylpropyl)-4-propan-2-ylpyridine;N,N-dimethyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;1-hydroxy-2-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium;N-methyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;methyl 6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylate;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carbonitrile;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylic acid;[6-(2-methylpropyl)-4-propan-2-yl-2-pyridinyl]methanol (CID 161352561) is 2-(difluoromethyl)-6-(2-methylpropyl)-4-propan-2-ylpyridine;N,N-dimethyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;1-hydroxy-2-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium;N-methyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;methyl 6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylate;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carbonitrile;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylic acid;[6-(2-methylpropyl)-4-propan-2-yl-2-pyridinyl]methanol.
What is the SMILES notation for 2-(difluoromethyl)-6-(2-methylpropyl)-4-propan-2-ylpyridine;N,N-dimethyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;1-hydroxy-2-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium;N-methyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;methyl 6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylate;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carbonitrile;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylic acid;[6-(2-methylpropyl)-4-propan-2-yl-2-pyridinyl]methanol?
The canonical SMILES for 2-(difluoromethyl)-6-(2-methylpropyl)-4-propan-2-ylpyridine;N,N-dimethyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;1-hydroxy-2-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium;N-methyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;methyl 6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylate;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carbonitrile;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylic acid;[6-(2-methylpropyl)-4-propan-2-yl-2-pyridinyl]methanol is CC(C)Cc1cc(C(C)C)cc(C#N)n1.CC(C)Cc1cc(C(C)C)cc(C(=O)N(C)C)n1.CC(C)Cc1cc(C(C)C)cc(C(=O)O)n1.CC(C)Cc1cc(C(C)C)cc(C(F)F)n1.CC(C)Cc1cc(C(C)C)cc(CO)n1.CC(C)Cc1cc(C(C)C)cc[n+]1O.CNC(=O)c1cc(C(C)C)cc(CC(C)C)n1.COC(=O)c1cc(C(C)C)cc(CC(C)C)n1.
What is the InChIKey of 2-(difluoromethyl)-6-(2-methylpropyl)-4-propan-2-ylpyridine;N,N-dimethyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;1-hydroxy-2-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium;N-methyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;methyl 6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylate;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carbonitrile;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylic acid;[6-(2-methylpropyl)-4-propan-2-yl-2-pyridinyl]methanol?
The InChIKey is KEYNOOJBAPVUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.C14H22N2O.C14H21NO2.C13H19F2N.C13H18N2.C13H19NO2.C13H21NO.C12H20NO/c1-10(2)7-13-8-12(11(3)4)9-14(16-13)15(18)17(5)6;1-9(2)6-12-7-11(10(3)4)8-13(16-12)14(17)15-5;1-9(2)6-12-7-11(10(3)4)8-13(15-12)14(16)17-5;1-8(2)5-11-6-10(9(3)4)7-12(16-11)13(14)15;1-9(2)5-12-6-11(10(3)4)7-13(8-14)15-12;1-8(2)5-11-6-10(9(3)4)7-12(14-11)13(15)16;1-9(2)5-12-6-11(10(3)4)7-13(8-15)14-12;1-9(2)7-12-8-11(10(3)4)5-6-13(12)14/h8-11H,7H2,1-6H3;7-10H,6H2,1-5H3,(H,15,17);7-10H,6H2,1-5H3;6-9,13H,5H2,1-4H3;6-7,9-10H,5H2,1-4H3;6-9H,5H2,1-4H3,(H,15,16);6-7,9-10,15H,5,8H2,1-4H3;5-6,8-10,14H,7H2,1-4H3/q;;;;;;;+1.
What are the key properties of 2-(difluoromethyl)-6-(2-methylpropyl)-4-propan-2-ylpyridine;N,N-dimethyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;1-hydroxy-2-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium;N-methyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;methyl 6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylate;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carbonitrile;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylic acid;[6-(2-methylpropyl)-4-propan-2-yl-2-pyridinyl]methanol?
2-(difluoromethyl)-6-(2-methylpropyl)-4-propan-2-ylpyridine;N,N-dimethyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;1-hydroxy-2-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium;N-methyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;methyl 6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylate;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carbonitrile;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylic acid;[6-(2-methylpropyl)-4-propan-2-yl-2-pyridinyl]methanol has a molecular weight of 1770.55 g/mol, XLogP of 25.21, 30 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-(2-methylpropyl)-4-propan-2-ylpyridine;N,N-dimethyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;1-hydroxy-2-(2-methylpropyl)-4-propan-2-ylpyridin-1-ium;N-methyl-6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxamide;methyl 6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylate;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carbonitrile;6-(2-methylpropyl)-4-propan-2-ylpyridine-2-carboxylic acid;[6-(2-methylpropyl)-4-propan-2-yl-2-pyridinyl]methanol is sourced from PubChem (CID 161352561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).