4-(4-fluorophenyl)-1-[(2-nitrophenyl)methyl]-3,6-dihydro-2H-pyridine

C18H17FN2O2 — CID 782273

IUPAC4-(4-fluorophenyl)-1-[(2-nitrophenyl)methyl]-3,6-dihydro-2H-pyridine
SMILESO=[N+]([O-])c1ccccc1CN1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17FN2O2/c19-17-7-5-14(6-8-17)15-9-11-20(12-10-15)13-16-3-1-2-4-18(16)21(22)23/h1-9H,10-13H2
InChIKeyDOQWAEMRIKJVQB-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.02
Rot. Bonds4

About 4-(4-fluorophenyl)-1-[(2-nitrophenyl)methyl]-3,6-dihydro-2H-pyridine

4-(4-fluorophenyl)-1-[(2-nitrophenyl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 782273) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[(2-nitrophenyl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[(2-nitrophenyl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID782273
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name4-(4-fluorophenyl)-1-[(2-nitrophenyl)methyl]-3,6-dihydro-2H-pyridine
SMILESO=[N+]([O-])c1ccccc1CN1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17FN2O2/c19-17-7-5-14(6-8-17)15-9-11-20(12-10-15)13-16-3-1-2-4-18(16)21(22)23/h1-9H,10-13H2
InChIKeyDOQWAEMRIKJVQB-UHFFFAOYSA-N
XLogP4.02
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Phenylpropylamine derivative 3
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LY 97241
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1-[(4-Nitrophenyl)methyl]-4-(3-phenylpropyl)piperazine
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1-[2-(3-Nitro-phenyl)-ethyl]-4-(3-phenyl-propyl)-piperazine
CID 10338172
4-fluoro-2-methyl-N-[(4-nitrophenyl)methyl]aniline
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1-((3-Nitrophenyl)methyl)-4-(phenylmethyl)piperidine
CID 1377160
AG-690/11820303
CID 2850828
1-[(4-nitrophenyl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine
CID 9514475
4-Benzyl-1-(4-nitrobenzyl)piperidine
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CID 782473

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[(2-nitrophenyl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(4-fluorophenyl)-1-[(2-nitrophenyl)methyl]-3,6-dihydro-2H-pyridine (CID 782273) is 4-(4-fluorophenyl)-1-[(2-nitrophenyl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[(2-nitrophenyl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-1-[(2-nitrophenyl)methyl]-3,6-dihydro-2H-pyridine is O=[N+]([O-])c1ccccc1CN1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[(2-nitrophenyl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is DOQWAEMRIKJVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-17-7-5-14(6-8-17)15-9-11-20(12-10-15)13-16-3-1-2-4-18(16)21(22)23/h1-9H,10-13H2.
What are the key properties of 4-(4-fluorophenyl)-1-[(2-nitrophenyl)methyl]-3,6-dihydro-2H-pyridine?
4-(4-fluorophenyl)-1-[(2-nitrophenyl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 312.34 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[(2-nitrophenyl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 782273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).