4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide

C20H14BrFIN — CID 154926382

IUPAC4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide
SMILESC[n+]1ccc(-c2c3ccccc3c(Br)c3ccccc23)cc1F.[I-]
InChIInChI=1S/C20H14BrFN.HI/c1-23-11-10-13(12-18(23)22)19-14-6-2-4-8-16(14)20(21)17-9-5-3-7-15(17)19;/h2-12H,1H3;1H/q+1;/p-1
InChIKeyFZLYFHYXDDIJDP-UHFFFAOYSA-M
MW494.15 g/mol
LogP2.39
Rot. Bonds1

About 4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide

4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide (PubChem CID 154926382) has the molecular formula C20H14BrFIN and a molecular weight of 494.15 g/mol. Its IUPAC name is 4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide.

Molecular Properties

Compound Name4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide
PubChem CID154926382
Molecular FormulaC20H14BrFIN
Molecular Weight494.15 g/mol
Exact Mass492.93
IUPAC Name4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide
SMILESC[n+]1ccc(-c2c3ccccc3c(Br)c3ccccc23)cc1F.[I-]
InChIInChI=1S/C20H14BrFN.HI/c1-23-11-10-13(12-18(23)22)19-14-6-2-4-8-16(14)20(21)17-9-5-3-7-15(17)19;/h2-12H,1H3;1H/q+1;/p-1
InChIKeyFZLYFHYXDDIJDP-UHFFFAOYSA-M
XLogP2.39
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.15
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-methyl-4-(10-phenylanthracen-9-yl)pyridin-1-ium iodide
CID 155433472
4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane
CID 153340780
2,4-difluoro-1-methylpyridin-1-ium
CID 169211033
9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene
CID 102497816
9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene
CID 58321112
9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene
CID 59523782
6-(10-bromoanthracen-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654333
9-bromo-2-chloro-10-phenylanthracene
CID 90194805
9-bromo-10-(10-methoxyanthracen-9-yl)anthracene
CID 141476648
6-(10-bromoanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 167187045
10-[3,5-bis(10-bromoanthracen-9-yl)phenyl]-N,N-bis(4-methylphenyl)anthracen-9-amine
CID 58722432
9-bromo-10-(1-fluoronaphthalen-2-yl)anthracene
CID 142705051

Frequently Asked Questions

What is the IUPAC name of 4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide?
The IUPAC name of 4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide (CID 154926382) is 4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide.
What is the SMILES notation for 4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide?
The canonical SMILES for 4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide is C[n+]1ccc(-c2c3ccccc3c(Br)c3ccccc23)cc1F.[I-].
What is the InChIKey of 4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide?
The InChIKey is FZLYFHYXDDIJDP-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H14BrFN.HI/c1-23-11-10-13(12-18(23)22)19-14-6-2-4-8-16(14)20(21)17-9-5-3-7-15(17)19;/h2-12H,1H3;1H/q+1;/p-1.
What are the key properties of 4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide?
4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide has a molecular weight of 494.15 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide is sourced from PubChem (CID 154926382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).