2-fluoro-5-methylpyridine;5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine

C52H48F8N12O4 — CID 160580171

IUPAC2-fluoro-5-methylpyridine;5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine
SMILESCc1ccc(C#N)cn1.Cc1ccc(C#N)nc1.Cc1ccc(C(F)(F)F)cn1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(F)cn1.Cc1ccc(F)nc1.Cc1ccc([N+](=O)[O-])cn1.Cc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/2C7H6F3N.2C7H6N2.2C6H6FN.2C6H6N2O2/c1-5-2-3-6(4-11-5)7(8,9)10;1-5-2-3-6(11-4-5)7(8,9)10;1-6-2-3-7(4-8)5-9-6;1-6-2-3-7(4-8)9-5-6;1-5-2-3-6(7)4-8-5;1-5-2-3-6(7)8-4-5;1-5-2-3-6(4-7-5)8(9)10;1-5-2-3-6(7-4-5)8(9)10/h2*2-4H,1H3;2*2-3,5H,1H3;2*2-4H,1H3;2*2-4H,1H3
InChIKeyRBRGLUVPSICESE-UHFFFAOYSA-N
MW1057.02 g/mol
LogP13.00
Rot. Bonds2

About 2-fluoro-5-methylpyridine;5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine

2-fluoro-5-methylpyridine;5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine (PubChem CID 160580171) has the molecular formula C52H48F8N12O4 and a molecular weight of 1057.02 g/mol. Its IUPAC name is 2-fluoro-5-methylpyridine;5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-fluoro-5-methylpyridine;5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine
PubChem CID160580171
Molecular FormulaC52H48F8N12O4
Molecular Weight1057.02 g/mol
Exact Mass1056.38
IUPAC Name2-fluoro-5-methylpyridine;5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine
SMILESCc1ccc(C#N)cn1.Cc1ccc(C#N)nc1.Cc1ccc(C(F)(F)F)cn1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(F)cn1.Cc1ccc(F)nc1.Cc1ccc([N+](=O)[O-])cn1.Cc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/2C7H6F3N.2C7H6N2.2C6H6FN.2C6H6N2O2/c1-5-2-3-6(4-11-5)7(8,9)10;1-5-2-3-6(11-4-5)7(8,9)10;1-6-2-3-7(4-8)5-9-6;1-6-2-3-7(4-8)9-5-6;1-5-2-3-6(7)4-8-5;1-5-2-3-6(7)8-4-5;1-5-2-3-6(4-7-5)8(9)10;1-5-2-3-6(7-4-5)8(9)10/h2*2-4H,1H3;2*2-3,5H,1H3;2*2-4H,1H3;2*2-4H,1H3
InChIKeyRBRGLUVPSICESE-UHFFFAOYSA-N
XLogP13.00
TPSA236.98 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001057.02
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-methylpyridine;5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methylpyridine;5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 2-fluoro-5-methylpyridine;5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine (CID 160580171) is 2-fluoro-5-methylpyridine;5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-fluoro-5-methylpyridine;5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 2-fluoro-5-methylpyridine;5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine is Cc1ccc(C#N)cn1.Cc1ccc(C#N)nc1.Cc1ccc(C(F)(F)F)cn1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(F)cn1.Cc1ccc(F)nc1.Cc1ccc([N+](=O)[O-])cn1.Cc1ccc([N+](=O)[O-])nc1.
What is the InChIKey of 2-fluoro-5-methylpyridine;5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine?
The InChIKey is RBRGLUVPSICESE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6F3N.2C7H6N2.2C6H6FN.2C6H6N2O2/c1-5-2-3-6(4-11-5)7(8,9)10;1-5-2-3-6(11-4-5)7(8,9)10;1-6-2-3-7(4-8)5-9-6;1-6-2-3-7(4-8)9-5-6;1-5-2-3-6(7)4-8-5;1-5-2-3-6(7)8-4-5;1-5-2-3-6(4-7-5)8(9)10;1-5-2-3-6(7-4-5)8(9)10/h2*2-4H,1H3;2*2-3,5H,1H3;2*2-4H,1H3;2*2-4H,1H3.
What are the key properties of 2-fluoro-5-methylpyridine;5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine?
2-fluoro-5-methylpyridine;5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine has a molecular weight of 1057.02 g/mol, XLogP of 13.00, 2 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methylpyridine;5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 160580171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).