N-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-imine

C14H13FN2 — CID 91431094

IUPACN-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-imine
SMILESCC(/C=N/c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C14H13FN2/c1-11(14-4-2-3-9-16-14)10-17-13-7-5-12(15)6-8-13/h2-11H,1H3/b17-10+
InChIKeyNVTWGECZIQTYAB-LICLKQGHSA-N
MW228.27 g/mol
LogP3.73
Rot. Bonds3

About N-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-imine

N-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-imine (PubChem CID 91431094) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-imine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-imine
PubChem CID91431094
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC NameN-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-imine
SMILESCC(/C=N/c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C14H13FN2/c1-11(14-4-2-3-9-16-14)10-17-13-7-5-12(15)6-8-13/h2-11H,1H3/b17-10+
InChIKeyNVTWGECZIQTYAB-LICLKQGHSA-N
XLogP3.73
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-methylpropan-1-imine
CID 131236159
2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine
CID 146530371
1-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66446030
1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one
CID 91190415
2-[(3E,5Z)-hepta-3,5-dien-2-yl]pyridine
CID 144961155
2-[(4-fluorophenyl)-isocyanomethyl]pyridine
CID 162491168
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 33431970
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
2-[1-chloro-1-(2,4,6-trifluorophenyl)propan-2-yl]pyridine
CID 66460615
2-(4-fluorophenyl)-2-pyridin-2-ylethanamine
CID 82040232
1-(2-chlorophenyl)-3-(4-ethoxyphenyl)imino-2-pyridin-2-ylpropan-1-one
CID 90957038

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-imine?
The IUPAC name of N-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-imine (CID 91431094) is N-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-imine.
What is the SMILES notation for N-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-imine?
The canonical SMILES for N-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-imine is CC(/C=N/c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of N-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-imine?
The InChIKey is NVTWGECZIQTYAB-LICLKQGHSA-N. The full InChI is InChI=1S/C14H13FN2/c1-11(14-4-2-3-9-16-14)10-17-13-7-5-12(15)6-8-13/h2-11H,1H3/b17-10+.
What are the key properties of N-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-imine?
N-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-imine has a molecular weight of 228.27 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-imine is sourced from PubChem (CID 91431094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).