1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine

C11H11FN2O2 — CID 141075149

IUPAC1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine
SMILESO=[N+]([O-])c1ccc(N2C=CCCC2)c(F)c1
InChIInChI=1S/C11H11FN2O2/c12-10-8-9(14(15)16)4-5-11(10)13-6-2-1-3-7-13/h2,4-6,8H,1,3,7H2
InChIKeyKQMKKMDIEBBDOJ-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.85
Rot. Bonds2

About 1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine

1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine (PubChem CID 141075149) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine
PubChem CID141075149
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine
SMILESO=[N+]([O-])c1ccc(N2C=CCCC2)c(F)c1
InChIInChI=1S/C11H11FN2O2/c12-10-8-9(14(15)16)4-5-11(10)13-6-2-1-3-7-13/h2,4-6,8H,1,3,7H2
InChIKeyKQMKKMDIEBBDOJ-UHFFFAOYSA-N
XLogP2.85
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.85
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'}

Analyze 1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole
CID 57310080
1-(2-fluoro-4-nitrophenyl)piperidin-4-one
CID 3763781
3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one
CID 63788071
2-(2-fluoro-4-nitrophenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 47184706
2-(2-fluoro-4-nitrophenyl)-1,3,3a,4,7,7a-hexahydroisoindole
CID 133322945
ethane;1-(2-fluoro-4-nitrophenyl)piperidin-4-one
CID 170749636
9-(2-fluoro-4-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712608
1-(4-nitrophenyl)-2,3-dihydropyrrole
CID 67551933
1-(2-fluoro-4-nitrophenyl)pyridin-4-one
CID 86185931
1-(2-fluoro-4-nitrophenyl)piperidine-4-carboxylic acid
CID 19624566
4-[1-(2-fluoro-4-nitrophenyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 133487540
3-fluoro-4-morpholin-4-ylaniline;4-(2-fluoro-4-nitrophenyl)morpholine
CID 69365394

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine?
The IUPAC name of 1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine (CID 141075149) is 1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine is O=[N+]([O-])c1ccc(N2C=CCCC2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine?
The InChIKey is KQMKKMDIEBBDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c12-10-8-9(14(15)16)4-5-11(10)13-6-2-1-3-7-13/h2,4-6,8H,1,3,7H2.
What are the key properties of 1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine?
1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine has a molecular weight of 222.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 141075149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).