4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;methane;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine

C84H147FN7O2+ — CID 160550748

IUPAC4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;methane;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine
SMILESC.C.C.C.C.C.C.C.C.CC(C)(C)Cc1cc[n+](O)cc1.CC(C)(C)Cc1ccccn1.CC(C)Cc1ccc(F)cn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1ccncc1.Cc1cc(CC(C)C)ccn1.Cc1ccc(CC(C)C)cn1
InChIInChI=1S/C10H16NO.3C10H15N.C9H12FN.2C9H13N.C8H12O.9CH4/c1-10(2,3)8-9-4-6-11(12)7-5-9;1-8(2)6-10-4-5-11-9(3)7-10;1-8(2)6-10-5-4-9(3)11-7-10;1-10(2,3)8-9-6-4-5-7-11-9;1-7(2)5-9-4-3-8(10)6-11-9;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-7(2)6-8-4-3-5-9-8;;;;;;;;;/h4-7,12H,8H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-7H,8H2,1-3H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,7H,6H2,1-2H3;9*1H4/q+1;;;;;;;;;;;;;;;;
InChIKeyQYAOJHGHTLCEMH-UHFFFAOYSA-N
MW1306.14 g/mol
LogP24.83
Rot. Bonds14

About 4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;methane;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine

4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;methane;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine (PubChem CID 160550748) has the molecular formula C84H147FN7O2+ and a molecular weight of 1306.14 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;methane;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;methane;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine
PubChem CID160550748
Molecular FormulaC84H147FN7O2+
Molecular Weight1306.14 g/mol
Exact Mass1305.16
IUPAC Name4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;methane;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine
SMILESC.C.C.C.C.C.C.C.C.CC(C)(C)Cc1cc[n+](O)cc1.CC(C)(C)Cc1ccccn1.CC(C)Cc1ccc(F)cn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1ccncc1.Cc1cc(CC(C)C)ccn1.Cc1ccc(CC(C)C)cn1
InChIInChI=1S/C10H16NO.3C10H15N.C9H12FN.2C9H13N.C8H12O.9CH4/c1-10(2,3)8-9-4-6-11(12)7-5-9;1-8(2)6-10-4-5-11-9(3)7-10;1-8(2)6-10-5-4-9(3)11-7-10;1-10(2,3)8-9-6-4-5-7-11-9;1-7(2)5-9-4-3-8(10)6-11-9;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-7(2)6-8-4-3-5-9-8;;;;;;;;;/h4-7,12H,8H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-7H,8H2,1-3H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,7H,6H2,1-2H3;9*1H4/q+1;;;;;;;;;;;;;;;;
InChIKeyQYAOJHGHTLCEMH-UHFFFAOYSA-N
XLogP24.83
TPSA114.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001306.14
LogP ≤ 524.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;methane;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine 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 4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;methane;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine?
The IUPAC name of 4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;methane;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine (CID 160550748) is 4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;methane;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;methane;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;methane;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine is C.C.C.C.C.C.C.C.C.CC(C)(C)Cc1cc[n+](O)cc1.CC(C)(C)Cc1ccccn1.CC(C)Cc1ccc(F)cn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1ccncc1.Cc1cc(CC(C)C)ccn1.Cc1ccc(CC(C)C)cn1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;methane;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine?
The InChIKey is QYAOJHGHTLCEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO.3C10H15N.C9H12FN.2C9H13N.C8H12O.9CH4/c1-10(2,3)8-9-4-6-11(12)7-5-9;1-8(2)6-10-4-5-11-9(3)7-10;1-8(2)6-10-5-4-9(3)11-7-10;1-10(2,3)8-9-6-4-5-7-11-9;1-7(2)5-9-4-3-8(10)6-11-9;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-7(2)6-8-4-3-5-9-8;;;;;;;;;/h4-7,12H,8H2,1-3H3;2*4-5,7-8H,6H2,1-3H3;4-7H,8H2,1-3H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5,7H,6H2,1-2H3;9*1H4/q+1;;;;;;;;;;;;;;;;.
What are the key properties of 4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;methane;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine?
4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;methane;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine has a molecular weight of 1306.14 g/mol, XLogP of 24.83, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1-hydroxypyridin-1-ium;2-(2,2-dimethylpropyl)pyridine;5-fluoro-2-(2-methylpropyl)pyridine;methane;2-methyl-4-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyridine;2-(2-methylpropyl)furan;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine is sourced from PubChem (CID 160550748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).