2-amino-6-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)pyridine-3-carbonitrile

C18H9Cl2F2N3 — CID 3529546

IUPAC2-amino-6-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)c(F)c2)cc(-c2ccc(Cl)c(Cl)c2)nc1N
InChIInChI=1S/C18H9Cl2F2N3/c19-13-3-1-10(5-14(13)20)17-7-11(12(8-23)18(24)25-17)9-2-4-15(21)16(22)6-9/h1-7H,(H2,24,25)
InChIKeyYHLOQWAMVKDDOJ-UHFFFAOYSA-N
MW376.19 g/mol
LogP5.45
Rot. Bonds2

About 2-amino-6-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)pyridine-3-carbonitrile

2-amino-6-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)pyridine-3-carbonitrile (PubChem CID 3529546) has the molecular formula C18H9Cl2F2N3 and a molecular weight of 376.19 g/mol. Its IUPAC name is 2-amino-6-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)pyridine-3-carbonitrile
PubChem CID3529546
Molecular FormulaC18H9Cl2F2N3
Molecular Weight376.19 g/mol
Exact Mass375.01
IUPAC Name2-amino-6-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)c(F)c2)cc(-c2ccc(Cl)c(Cl)c2)nc1N
InChIInChI=1S/C18H9Cl2F2N3/c19-13-3-1-10(5-14(13)20)17-7-11(12(8-23)18(24)25-17)9-2-4-15(21)16(22)6-9/h1-7H,(H2,24,25)
InChIKeyYHLOQWAMVKDDOJ-UHFFFAOYSA-N
XLogP5.45
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.19
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)pyridine-3-carbonitrile (CID 3529546) is 2-amino-6-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)pyridine-3-carbonitrile is N#Cc1c(-c2ccc(F)c(F)c2)cc(-c2ccc(Cl)c(Cl)c2)nc1N.
What is the InChIKey of 2-amino-6-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)pyridine-3-carbonitrile?
The InChIKey is YHLOQWAMVKDDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2F2N3/c19-13-3-1-10(5-14(13)20)17-7-11(12(8-23)18(24)25-17)9-2-4-15(21)16(22)6-9/h1-7H,(H2,24,25).
What are the key properties of 2-amino-6-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)pyridine-3-carbonitrile?
2-amino-6-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)pyridine-3-carbonitrile has a molecular weight of 376.19 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3529546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).