1,2-diamino-4-(4-fluorophenyl)-6-oxopyridine-3,5-dicarbonitrile

C13H8FN5O — CID 1240646

IUPAC1,2-diamino-4-(4-fluorophenyl)-6-oxopyridine-3,5-dicarbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)c(C#N)c(=O)n(N)c1N
InChIInChI=1S/C13H8FN5O/c14-8-3-1-7(2-4-8)11-9(5-15)12(17)19(18)13(20)10(11)6-16/h1-4H,17-18H2
InChIKeyQNFCITDQMQJEKS-UHFFFAOYSA-N
MW269.24 g/mol
LogP0.69
Rot. Bonds1

About 1,2-diamino-4-(4-fluorophenyl)-6-oxopyridine-3,5-dicarbonitrile

1,2-diamino-4-(4-fluorophenyl)-6-oxopyridine-3,5-dicarbonitrile (PubChem CID 1240646) has the molecular formula C13H8FN5O and a molecular weight of 269.24 g/mol. Its IUPAC name is 1,2-diamino-4-(4-fluorophenyl)-6-oxopyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name1,2-diamino-4-(4-fluorophenyl)-6-oxopyridine-3,5-dicarbonitrile
PubChem CID1240646
Molecular FormulaC13H8FN5O
Molecular Weight269.24 g/mol
Exact Mass269.07
IUPAC Name1,2-diamino-4-(4-fluorophenyl)-6-oxopyridine-3,5-dicarbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)c(C#N)c(=O)n(N)c1N
InChIInChI=1S/C13H8FN5O/c14-8-3-1-7(2-4-8)11-9(5-15)12(17)19(18)13(20)10(11)6-16/h1-4H,17-18H2
InChIKeyQNFCITDQMQJEKS-UHFFFAOYSA-N
XLogP0.69
TPSA121.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-diamino-4-(4-fluorophenyl)-6-oxopyridine-3,5-dicarbonitrile?
The IUPAC name of 1,2-diamino-4-(4-fluorophenyl)-6-oxopyridine-3,5-dicarbonitrile (CID 1240646) is 1,2-diamino-4-(4-fluorophenyl)-6-oxopyridine-3,5-dicarbonitrile.
What is the SMILES notation for 1,2-diamino-4-(4-fluorophenyl)-6-oxopyridine-3,5-dicarbonitrile?
The canonical SMILES for 1,2-diamino-4-(4-fluorophenyl)-6-oxopyridine-3,5-dicarbonitrile is N#Cc1c(-c2ccc(F)cc2)c(C#N)c(=O)n(N)c1N.
What is the InChIKey of 1,2-diamino-4-(4-fluorophenyl)-6-oxopyridine-3,5-dicarbonitrile?
The InChIKey is QNFCITDQMQJEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN5O/c14-8-3-1-7(2-4-8)11-9(5-15)12(17)19(18)13(20)10(11)6-16/h1-4H,17-18H2.
What are the key properties of 1,2-diamino-4-(4-fluorophenyl)-6-oxopyridine-3,5-dicarbonitrile?
1,2-diamino-4-(4-fluorophenyl)-6-oxopyridine-3,5-dicarbonitrile has a molecular weight of 269.24 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diamino-4-(4-fluorophenyl)-6-oxopyridine-3,5-dicarbonitrile is sourced from PubChem (CID 1240646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).