2-bromo-4-(3-fluorophenyl)-6-phenylpyridine-3-carbonitrile

C18H10BrFN2 — CID 1105833

IUPAC2-bromo-4-(3-fluorophenyl)-6-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(F)c2)cc(-c2ccccc2)nc1Br
InChIInChI=1S/C18H10BrFN2/c19-18-16(11-21)15(13-7-4-8-14(20)9-13)10-17(22-18)12-5-2-1-3-6-12/h1-10H
InChIKeyGRHYYXKLNQYSDD-UHFFFAOYSA-N
MW353.19 g/mol
LogP5.19
Rot. Bonds2

About 2-bromo-4-(3-fluorophenyl)-6-phenylpyridine-3-carbonitrile

2-bromo-4-(3-fluorophenyl)-6-phenylpyridine-3-carbonitrile (PubChem CID 1105833) has the molecular formula C18H10BrFN2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 2-bromo-4-(3-fluorophenyl)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-bromo-4-(3-fluorophenyl)-6-phenylpyridine-3-carbonitrile
PubChem CID1105833
Molecular FormulaC18H10BrFN2
Molecular Weight353.19 g/mol
Exact Mass352.00
IUPAC Name2-bromo-4-(3-fluorophenyl)-6-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(F)c2)cc(-c2ccccc2)nc1Br
InChIInChI=1S/C18H10BrFN2/c19-18-16(11-21)15(13-7-4-8-14(20)9-13)10-17(22-18)12-5-2-1-3-6-12/h1-10H
InChIKeyGRHYYXKLNQYSDD-UHFFFAOYSA-N
XLogP5.19
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.19
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ML318
CID 56604881
2-Methyl-4,6-diphenylpyridine
CID 618669
6-(Cyano(4-fluorophenyl)methyl)-3-methylpicolinonitrile (26)
CID 56604871
6-(Cyano(4-fluorophenyl)methyl)picolinonitrile (25)
CID 56851824
(2s)-(4-Fluorophenyl)[6-(Trifluoromethyl)pyridin-2-Yl]ethanenitrile
CID 74627698
MAP Kinase Inhibitor, 7
CID 3394234
2-Bromo-6-phenylpyridine
CID 568679
2-Bromo-6-methylpyridine-3-carbonitrile
CID 4738310
3-Bromoquinoline-2-carbonitrile
CID 616099
2-Bromo-4-(2-chlorophenyl)-6-phenylpyridine-3-carbonitrile
CID 1068811
2-Bromo-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile
CID 1871785
2-Bromo-4,6-diphenylnicotinonitrile
CID 818430

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-fluorophenyl)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-bromo-4-(3-fluorophenyl)-6-phenylpyridine-3-carbonitrile (CID 1105833) is 2-bromo-4-(3-fluorophenyl)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-bromo-4-(3-fluorophenyl)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-bromo-4-(3-fluorophenyl)-6-phenylpyridine-3-carbonitrile is N#Cc1c(-c2cccc(F)c2)cc(-c2ccccc2)nc1Br.
What is the InChIKey of 2-bromo-4-(3-fluorophenyl)-6-phenylpyridine-3-carbonitrile?
The InChIKey is GRHYYXKLNQYSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrFN2/c19-18-16(11-21)15(13-7-4-8-14(20)9-13)10-17(22-18)12-5-2-1-3-6-12/h1-10H.
What are the key properties of 2-bromo-4-(3-fluorophenyl)-6-phenylpyridine-3-carbonitrile?
2-bromo-4-(3-fluorophenyl)-6-phenylpyridine-3-carbonitrile has a molecular weight of 353.19 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-fluorophenyl)-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 1105833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).