3-(3-bromophenyl)-3-(2-cyclopropyl-4-pyridinyl)-7-fluoro-2H-inden-1-imine

C23H18BrFN2 — CID 123674700

IUPAC3-(3-bromophenyl)-3-(2-cyclopropyl-4-pyridinyl)-7-fluoro-2H-inden-1-imine
SMILES[H]/N=C1\CC(c2cccc(Br)c2)(c2ccnc(C3CC3)c2)c2cccc(F)c21
InChIInChI=1S/C23H18BrFN2/c24-17-4-1-3-15(11-17)23(16-9-10-27-21(12-16)14-7-8-14)13-20(26)22-18(23)5-2-6-19(22)25/h1-6,9-12,14,26H,7-8,13H2/b26-20+
InChIKeyWHGXEFFDOWMKAU-LHLOQNFPSA-N
MW421.31 g/mol
LogP5.97
Rot. Bonds3

About 3-(3-bromophenyl)-3-(2-cyclopropyl-4-pyridinyl)-7-fluoro-2H-inden-1-imine

3-(3-bromophenyl)-3-(2-cyclopropyl-4-pyridinyl)-7-fluoro-2H-inden-1-imine (PubChem CID 123674700) has the molecular formula C23H18BrFN2 and a molecular weight of 421.31 g/mol. Its IUPAC name is 3-(3-bromophenyl)-3-(2-cyclopropyl-4-pyridinyl)-7-fluoro-2H-inden-1-imine.

Molecular Properties

Compound Name3-(3-bromophenyl)-3-(2-cyclopropyl-4-pyridinyl)-7-fluoro-2H-inden-1-imine
PubChem CID123674700
Molecular FormulaC23H18BrFN2
Molecular Weight421.31 g/mol
Exact Mass420.06
IUPAC Name3-(3-bromophenyl)-3-(2-cyclopropyl-4-pyridinyl)-7-fluoro-2H-inden-1-imine
SMILES[H]/N=C1\CC(c2cccc(Br)c2)(c2ccnc(C3CC3)c2)c2cccc(F)c21
InChIInChI=1S/C23H18BrFN2/c24-17-4-1-3-15(11-17)23(16-9-10-27-21(12-16)14-7-8-14)13-20(26)22-18(23)5-2-6-19(22)25/h1-6,9-12,14,26H,7-8,13H2/b26-20+
InChIKeyWHGXEFFDOWMKAU-LHLOQNFPSA-N
XLogP5.97
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.31
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,3aS,7aS)-1-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-amine
CID 76331784
9H-Indeno(2,1-b)pyridine, 9-((4-bromophenyl)methylene)-
CID 6448037
2-(4-Bromo-4'-(tert-butyl)-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908957
2-[(2-Bromo-4-fluorophenyl)-phenylmethyl]pyridine
CID 162406147
4-[[2,7-Dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine
CID 90930230
5-bromo-2-[7-(2,3-dihydro-1H-inden-1-yl)-5-fluorooctan-3-yl]pyridine
CID 53927993
(3R)-3-(3-bromophenyl)-3-[2-(difluoromethyl)pyridin-4-yl]-7-fluoroisoindol-1-amine
CID 54596751
(1S,2S,3aR,7aR)-1-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-amine
CID 56646623
1-(3-Bromo-4-fluorophenyl)-4-fluoro-1-(pyridin-4-yl)-1H-isoindol-3-amine
CID 58579477
1-(3-bromophenyl)-4-fluoro-1-(pyridin-4-yl)-1H-isoindol-3-amine
CID 58579485
1-(2-Bromopyridin-4-yl)-1-(2-cyclopropylpyridin-4-yl)-4-fluoro-1H-isoindol-3-amine
CID 58579487
1-(3-Bromo-4-fluorophenyl)-4-fluoro-1-(2-(trifluoromethyl)pyridin-4-yl)-1H-isoindol-3-amine
CID 58579492

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-3-(2-cyclopropyl-4-pyridinyl)-7-fluoro-2H-inden-1-imine?
The IUPAC name of 3-(3-bromophenyl)-3-(2-cyclopropyl-4-pyridinyl)-7-fluoro-2H-inden-1-imine (CID 123674700) is 3-(3-bromophenyl)-3-(2-cyclopropyl-4-pyridinyl)-7-fluoro-2H-inden-1-imine.
What is the SMILES notation for 3-(3-bromophenyl)-3-(2-cyclopropyl-4-pyridinyl)-7-fluoro-2H-inden-1-imine?
The canonical SMILES for 3-(3-bromophenyl)-3-(2-cyclopropyl-4-pyridinyl)-7-fluoro-2H-inden-1-imine is [H]/N=C1\CC(c2cccc(Br)c2)(c2ccnc(C3CC3)c2)c2cccc(F)c21.
What is the InChIKey of 3-(3-bromophenyl)-3-(2-cyclopropyl-4-pyridinyl)-7-fluoro-2H-inden-1-imine?
The InChIKey is WHGXEFFDOWMKAU-LHLOQNFPSA-N. The full InChI is InChI=1S/C23H18BrFN2/c24-17-4-1-3-15(11-17)23(16-9-10-27-21(12-16)14-7-8-14)13-20(26)22-18(23)5-2-6-19(22)25/h1-6,9-12,14,26H,7-8,13H2/b26-20+.
What are the key properties of 3-(3-bromophenyl)-3-(2-cyclopropyl-4-pyridinyl)-7-fluoro-2H-inden-1-imine?
3-(3-bromophenyl)-3-(2-cyclopropyl-4-pyridinyl)-7-fluoro-2H-inden-1-imine has a molecular weight of 421.31 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-3-(2-cyclopropyl-4-pyridinyl)-7-fluoro-2H-inden-1-imine is sourced from PubChem (CID 123674700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).