2,3-dimethyl-6-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-2-carboxylic acid;methane;tris(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-6-propan-2-ylpyridine-2-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid

C115H170F2N12O6 — CID 160686223

IUPAC2,3-dimethyl-6-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-2-carboxylic acid;methane;tris(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-6-propan-2-ylpyridine-2-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid
SMILESC.C.C.C.CC(C)c1cc(C(=O)O)ccn1.CC(C)c1nc(C(=O)O)ccc1F.Cc1ccc(C(=O)O)nc1C(C)C.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1C.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccnc1C(C)C.Cc1cnc(C(C)C)c(C)c1.Cc1cnc(C(C)C)c(F)c1
InChIInChI=1S/C10H13NO2.2C10H15N.C9H10FNO2.C9H12FN.C9H11NO2.6C9H13N.4CH4/c1-6(2)9-7(3)4-5-8(11-9)10(12)13;1-7(2)10-9(4)5-8(3)6-11-10;1-7(2)10-6-5-8(3)9(4)11-10;1-5(2)8-6(10)3-4-7(11-8)9(12)13;1-6(2)9-8(10)4-7(3)5-11-9;1-6(2)8-5-7(9(11)12)3-4-10-8;2*1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-8(3)5-4-6-10-9;3*1-7(2)9-6-4-5-8(3)10-9;;;;/h4-6H,1-3H3,(H,12,13);2*5-7H,1-4H3;3-5H,1-2H3,(H,12,13);4-6H,1-3H3;3-6H,1-2H3,(H,11,12);6*4-7H,1-3H3;4*1H4
InChIKeyROUJJIIJOAGEHL-UHFFFAOYSA-N
MW1854.70 g/mol
LogP32.08
Rot. Bonds15

About 2,3-dimethyl-6-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-2-carboxylic acid;methane;tris(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-6-propan-2-ylpyridine-2-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid

2,3-dimethyl-6-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-2-carboxylic acid;methane;tris(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-6-propan-2-ylpyridine-2-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid (PubChem CID 160686223) has the molecular formula C115H170F2N12O6 and a molecular weight of 1854.70 g/mol. Its IUPAC name is 2,3-dimethyl-6-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-2-carboxylic acid;methane;tris(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-6-propan-2-ylpyridine-2-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethyl-6-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-2-carboxylic acid;methane;tris(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-6-propan-2-ylpyridine-2-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid
PubChem CID160686223
Molecular FormulaC115H170F2N12O6
Molecular Weight1854.70 g/mol
Exact Mass1853.33
IUPAC Name2,3-dimethyl-6-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-2-carboxylic acid;methane;tris(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-6-propan-2-ylpyridine-2-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid
SMILESC.C.C.C.CC(C)c1cc(C(=O)O)ccn1.CC(C)c1nc(C(=O)O)ccc1F.Cc1ccc(C(=O)O)nc1C(C)C.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1C.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccnc1C(C)C.Cc1cnc(C(C)C)c(C)c1.Cc1cnc(C(C)C)c(F)c1
InChIInChI=1S/C10H13NO2.2C10H15N.C9H10FNO2.C9H12FN.C9H11NO2.6C9H13N.4CH4/c1-6(2)9-7(3)4-5-8(11-9)10(12)13;1-7(2)10-9(4)5-8(3)6-11-10;1-7(2)10-6-5-8(3)9(4)11-10;1-5(2)8-6(10)3-4-7(11-8)9(12)13;1-6(2)9-8(10)4-7(3)5-11-9;1-6(2)8-5-7(9(11)12)3-4-10-8;2*1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-8(3)5-4-6-10-9;3*1-7(2)9-6-4-5-8(3)10-9;;;;/h4-6H,1-3H3,(H,12,13);2*5-7H,1-4H3;3-5H,1-2H3,(H,12,13);4-6H,1-3H3;3-6H,1-2H3,(H,11,12);6*4-7H,1-3H3;4*1H4
InChIKeyROUJJIIJOAGEHL-UHFFFAOYSA-N
XLogP32.08
TPSA266.58 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001854.70
LogP ≤ 532.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 2,3-dimethyl-6-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-2-carboxylic acid;methane;tris(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-6-propan-2-ylpyridine-2-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-2-carboxylic acid;methane;tris(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-6-propan-2-ylpyridine-2-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid?
The IUPAC name of 2,3-dimethyl-6-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-2-carboxylic acid;methane;tris(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-6-propan-2-ylpyridine-2-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid (CID 160686223) is 2,3-dimethyl-6-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-2-carboxylic acid;methane;tris(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-6-propan-2-ylpyridine-2-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2,3-dimethyl-6-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-2-carboxylic acid;methane;tris(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-6-propan-2-ylpyridine-2-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2,3-dimethyl-6-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-2-carboxylic acid;methane;tris(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-6-propan-2-ylpyridine-2-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid is C.C.C.C.CC(C)c1cc(C(=O)O)ccn1.CC(C)c1nc(C(=O)O)ccc1F.Cc1ccc(C(=O)O)nc1C(C)C.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1C.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccnc1C(C)C.Cc1cnc(C(C)C)c(C)c1.Cc1cnc(C(C)C)c(F)c1.
What is the InChIKey of 2,3-dimethyl-6-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-2-carboxylic acid;methane;tris(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-6-propan-2-ylpyridine-2-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid?
The InChIKey is ROUJJIIJOAGEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.2C10H15N.C9H10FNO2.C9H12FN.C9H11NO2.6C9H13N.4CH4/c1-6(2)9-7(3)4-5-8(11-9)10(12)13;1-7(2)10-9(4)5-8(3)6-11-10;1-7(2)10-6-5-8(3)9(4)11-10;1-5(2)8-6(10)3-4-7(11-8)9(12)13;1-6(2)9-8(10)4-7(3)5-11-9;1-6(2)8-5-7(9(11)12)3-4-10-8;2*1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-8(3)5-4-6-10-9;3*1-7(2)9-6-4-5-8(3)10-9;;;;/h4-6H,1-3H3,(H,12,13);2*5-7H,1-4H3;3-5H,1-2H3,(H,12,13);4-6H,1-3H3;3-6H,1-2H3,(H,11,12);6*4-7H,1-3H3;4*1H4.
What are the key properties of 2,3-dimethyl-6-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-2-carboxylic acid;methane;tris(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-6-propan-2-ylpyridine-2-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid?
2,3-dimethyl-6-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-2-carboxylic acid;methane;tris(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-6-propan-2-ylpyridine-2-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid has a molecular weight of 1854.70 g/mol, XLogP of 32.08, 15 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-2-carboxylic acid;methane;tris(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-6-propan-2-ylpyridine-2-carboxylic acid;2-propan-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 160686223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).