2-[(4-fluorophenyl)-isocyanomethyl]pyridine

C13H9FN2 — CID 162491168

IUPAC2-[(4-fluorophenyl)-isocyanomethyl]pyridine
SMILES[C-]#[N+]C(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C13H9FN2/c1-15-13(12-4-2-3-9-16-12)10-5-7-11(14)8-6-10/h2-9,13H
InChIKeyICTLHEAKJWWOJS-UHFFFAOYSA-N
MW212.23 g/mol
LogP3.23
Rot. Bonds2

About 2-[(4-fluorophenyl)-isocyanomethyl]pyridine

2-[(4-fluorophenyl)-isocyanomethyl]pyridine (PubChem CID 162491168) has the molecular formula C13H9FN2 and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)-isocyanomethyl]pyridine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)-isocyanomethyl]pyridine
PubChem CID162491168
Molecular FormulaC13H9FN2
Molecular Weight212.23 g/mol
Exact Mass212.07
IUPAC Name2-[(4-fluorophenyl)-isocyanomethyl]pyridine
SMILES[C-]#[N+]C(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C13H9FN2/c1-15-13(12-4-2-3-9-16-12)10-5-7-11(14)8-6-10/h2-9,13H
InChIKeyICTLHEAKJWWOJS-UHFFFAOYSA-N
XLogP3.23
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 53.23
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-[1-(4-fluorophenyl)-2-methylpropyl]pyridine
CID 146530371
2-(4-fluorophenyl)-2-pyridin-2-ylethanamine
CID 82040232
1-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66446030
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 33431970
(2R)-1-(4-fluorophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 129396295
2-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]guanidine
CID 14660391
lithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide
CID 174704336
1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol
CID 81401380
(3,5-difluorophenyl)-pyridin-2-ylmethanol
CID 62790290
N-cyclopentyl-2-(4-fluorophenyl)-2-pyridin-2-ylacetamide
CID 110373528
N-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-imine
CID 91431094

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)-isocyanomethyl]pyridine?
The IUPAC name of 2-[(4-fluorophenyl)-isocyanomethyl]pyridine (CID 162491168) is 2-[(4-fluorophenyl)-isocyanomethyl]pyridine.
What is the SMILES notation for 2-[(4-fluorophenyl)-isocyanomethyl]pyridine?
The canonical SMILES for 2-[(4-fluorophenyl)-isocyanomethyl]pyridine is [C-]#[N+]C(c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of 2-[(4-fluorophenyl)-isocyanomethyl]pyridine?
The InChIKey is ICTLHEAKJWWOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2/c1-15-13(12-4-2-3-9-16-12)10-5-7-11(14)8-6-10/h2-9,13H.
What are the key properties of 2-[(4-fluorophenyl)-isocyanomethyl]pyridine?
2-[(4-fluorophenyl)-isocyanomethyl]pyridine has a molecular weight of 212.23 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)-isocyanomethyl]pyridine is sourced from PubChem (CID 162491168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).