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

C18H9Cl3FN3 — CID 3529548

IUPAC2-amino-4-(2-chloro-6-fluorophenyl)-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2c(F)cccc2Cl)cc(-c2ccc(Cl)c(Cl)c2)nc1N
InChIInChI=1S/C18H9Cl3FN3/c19-12-5-4-9(6-14(12)21)16-7-10(11(8-23)18(24)25-16)17-13(20)2-1-3-15(17)22/h1-7H,(H2,24,25)
InChIKeyTZTJDKDRVUZKRG-UHFFFAOYSA-N
MW392.65 g/mol
LogP5.97
Rot. Bonds2

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

2-amino-4-(2-chloro-6-fluorophenyl)-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile (PubChem CID 3529548) has the molecular formula C18H9Cl3FN3 and a molecular weight of 392.65 g/mol. Its IUPAC name is 2-amino-4-(2-chloro-6-fluorophenyl)-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chloro-6-fluorophenyl)-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile
PubChem CID3529548
Molecular FormulaC18H9Cl3FN3
Molecular Weight392.65 g/mol
Exact Mass390.98
IUPAC Name2-amino-4-(2-chloro-6-fluorophenyl)-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2c(F)cccc2Cl)cc(-c2ccc(Cl)c(Cl)c2)nc1N
InChIInChI=1S/C18H9Cl3FN3/c19-12-5-4-9(6-14(12)21)16-7-10(11(8-23)18(24)25-16)17-13(20)2-1-3-15(17)22/h1-7H,(H2,24,25)
InChIKeyTZTJDKDRVUZKRG-UHFFFAOYSA-N
XLogP5.97
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.65
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(2-chloro-6-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3367991
2-amino-6-(3,4-dichlorophenyl)-4-(3,4-difluorophenyl)pyridine-3-carbonitrile
CID 3529546
2-amino-4-(4-chloro-3-fluorophenyl)-6-(3,4-dimethylphenyl)pyridine-3-carbonitrile
CID 3498060
2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
CID 3523944
2-amino-4-(4-chloro-3-fluorophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230669
2-amino-6-(3-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5118241
2-amino-4-(2-fluorophenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile
CID 5118076
2-amino-6-(3-chlorophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile
CID 3386706
2-amino-4-(2-fluorophenyl)-6-(4-fluorophenyl)pyridine-3-carbonitrile
CID 3355373
2-amino-6-(2-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119022
2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 4636733
2-amino-6-(4-chlorophenyl)-4-(2,4-difluorophenyl)pyridine-3-carbonitrile
CID 3379854

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chloro-6-fluorophenyl)-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-chloro-6-fluorophenyl)-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile (CID 3529548) is 2-amino-4-(2-chloro-6-fluorophenyl)-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-chloro-6-fluorophenyl)-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-chloro-6-fluorophenyl)-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile is N#Cc1c(-c2c(F)cccc2Cl)cc(-c2ccc(Cl)c(Cl)c2)nc1N.
What is the InChIKey of 2-amino-4-(2-chloro-6-fluorophenyl)-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile?
The InChIKey is TZTJDKDRVUZKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl3FN3/c19-12-5-4-9(6-14(12)21)16-7-10(11(8-23)18(24)25-16)17-13(20)2-1-3-15(17)22/h1-7H,(H2,24,25).
What are the key properties of 2-amino-4-(2-chloro-6-fluorophenyl)-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile?
2-amino-4-(2-chloro-6-fluorophenyl)-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile has a molecular weight of 392.65 g/mol, XLogP of 5.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chloro-6-fluorophenyl)-6-(3,4-dichlorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3529548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).