2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

C19H9Cl2FN4O — CID 169394270

IUPAC2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(-c2cc(Cl)cc(Cl)c2)cc1F
InChIInChI=1S/C19H9Cl2FN4O/c20-11-3-10(4-12(21)6-11)9-1-2-13(16(22)5-9)17-14(7-23)18(25)26-19(27)15(17)8-24/h1-6H,(H3,25,26,27)
InChIKeyIMVCVLPYHIDWQP-UHFFFAOYSA-N
MW399.21 g/mol
LogP4.48
Rot. Bonds2

About 2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394270) has the molecular formula C19H9Cl2FN4O and a molecular weight of 399.21 g/mol. Its IUPAC name is 2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394270
Molecular FormulaC19H9Cl2FN4O
Molecular Weight399.21 g/mol
Exact Mass398.01
IUPAC Name2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(-c2cc(Cl)cc(Cl)c2)cc1F
InChIInChI=1S/C19H9Cl2FN4O/c20-11-3-10(4-12(21)6-11)9-1-2-13(16(22)5-9)17-14(7-23)18(25)26-19(27)15(17)8-24/h1-6H,(H3,25,26,27)
InChIKeyIMVCVLPYHIDWQP-UHFFFAOYSA-N
XLogP4.48
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.21
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(4-ethynyl-2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395735
2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393282
2-amino-4-(3,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394089
2-amino-4-[2,4-difluoro-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395774
2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395599
2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393716
2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393277
2-amino-4-(5-chloro-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393229
2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393173
2-amino-4-[5-(bromomethyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395815
2-amino-4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395780
2,4-diamino-6-[4-(3,5-dichlorophenyl)-2-fluorophenyl]pyrimidine-5-carbonitrile
CID 169397259

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169394270) is 2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(-c2cc(Cl)cc(Cl)c2)cc1F.
What is the InChIKey of 2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is IMVCVLPYHIDWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl2FN4O/c20-11-3-10(4-12(21)6-11)9-1-2-13(16(22)5-9)17-14(7-23)18(25)26-19(27)15(17)8-24/h1-6H,(H3,25,26,27).
What are the key properties of 2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 399.21 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).