2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile

C19H13BrFN3 — CID 3366666

IUPAC2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3cc(Br)ccc3F)c(C#N)c(N)n2)cc1
InChIInChI=1S/C19H13BrFN3/c1-11-2-4-12(5-3-11)18-9-14(16(10-22)19(23)24-18)15-8-13(20)6-7-17(15)21/h2-9H,1H3,(H2,23,24)
InChIKeyDDMXQZZUONLEBB-UHFFFAOYSA-N
MW382.24 g/mol
LogP5.08
Rot. Bonds2

About 2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile

2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile (PubChem CID 3366666) has the molecular formula C19H13BrFN3 and a molecular weight of 382.24 g/mol. Its IUPAC name is 2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
PubChem CID3366666
Molecular FormulaC19H13BrFN3
Molecular Weight382.24 g/mol
Exact Mass381.03
IUPAC Name2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3cc(Br)ccc3F)c(C#N)c(N)n2)cc1
InChIInChI=1S/C19H13BrFN3/c1-11-2-4-12(5-3-11)18-9-14(16(10-22)19(23)24-18)15-8-13(20)6-7-17(15)21/h2-9H,1H3,(H2,23,24)
InChIKeyDDMXQZZUONLEBB-UHFFFAOYSA-N
XLogP5.08
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.24
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile (CID 3366666) is 2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3cc(Br)ccc3F)c(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is DDMXQZZUONLEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN3/c1-11-2-4-12(5-3-11)18-9-14(16(10-22)19(23)24-18)15-8-13(20)6-7-17(15)21/h2-9H,1H3,(H2,23,24).
What are the key properties of 2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile?
2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 382.24 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3366666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).