2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine

C13H9FN2 — CID 153319439

IUPAC2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine
SMILES[C-]#[N+]c1cc(C)c(-c2ccccn2)cc1F
InChIInChI=1S/C13H9FN2/c1-9-7-13(15-2)11(14)8-10(9)12-5-3-4-6-16-12/h3-8H,1H3
InChIKeySFVFOADKXSPXRQ-UHFFFAOYSA-N
MW212.23 g/mol
LogP3.75
Rot. Bonds1

About 2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine

2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine (PubChem CID 153319439) has the molecular formula C13H9FN2 and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine.

Molecular Properties

Compound Name2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine
PubChem CID153319439
Molecular FormulaC13H9FN2
Molecular Weight212.23 g/mol
Exact Mass212.07
IUPAC Name2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine
SMILES[C-]#[N+]c1cc(C)c(-c2ccccn2)cc1F
InChIInChI=1S/C13H9FN2/c1-9-7-13(15-2)11(14)8-10(9)12-5-3-4-6-16-12/h3-8H,1H3
InChIKeySFVFOADKXSPXRQ-UHFFFAOYSA-N
XLogP3.75
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-(4,5-difluoro-2-methylphenyl)pyridine;ethane
CID 145481986
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
2-(2,5-difluoro-4-methylphenyl)pyridine
CID 170974832
2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)phenyl]pyridine
CID 134268745
2-(2-fluoro-3-methylphenyl)pyridine
CID 175536337
2-(2,4-dimethylphenyl)pyridine;ethane
CID 143636710
2-(2-methylphenyl)pyridine
CID 144596153
2-(4-methyl-5-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 146397355
4-isocyano-6-pyridin-2-ylbenzene-1,3-dicarbonitrile
CID 168823207
2-(4-isocyano-5,5-dimethylbenzo[b][1]benzosilol-6-yl)pyridine
CID 154616018
3,4-dimethyl-5-pyridin-2-ylaniline
CID 165495051
2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine
CID 164927236

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine?
The IUPAC name of 2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine (CID 153319439) is 2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine.
What is the SMILES notation for 2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine?
The canonical SMILES for 2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine is [C-]#[N+]c1cc(C)c(-c2ccccn2)cc1F.
What is the InChIKey of 2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine?
The InChIKey is SFVFOADKXSPXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2/c1-9-7-13(15-2)11(14)8-10(9)12-5-3-4-6-16-12/h3-8H,1H3.
What are the key properties of 2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine?
2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine has a molecular weight of 212.23 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-4-isocyano-2-methylphenyl)pyridine is sourced from PubChem (CID 153319439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).