2-amino-6-(4-fluorophenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile

C18H13FN4 — CID 934091

IUPAC2-amino-6-(4-fluorophenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
SMILESCc1c(-c2ccc(F)cc2)nc(N)c(C#N)c1-c1cccnc1
InChIInChI=1S/C18H13FN4/c1-11-16(13-3-2-8-22-10-13)15(9-20)18(21)23-17(11)12-4-6-14(19)7-5-12/h2-8,10H,1H3,(H2,21,23)
InChIKeyYWOZEQAGDOWQFK-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.71
Rot. Bonds2

About 2-amino-6-(4-fluorophenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile

2-amino-6-(4-fluorophenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile (PubChem CID 934091) has the molecular formula C18H13FN4 and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-amino-6-(4-fluorophenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-fluorophenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
PubChem CID934091
Molecular FormulaC18H13FN4
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name2-amino-6-(4-fluorophenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
SMILESCc1c(-c2ccc(F)cc2)nc(N)c(C#N)c1-c1cccnc1
InChIInChI=1S/C18H13FN4/c1-11-16(13-3-2-8-22-10-13)15(9-20)18(21)23-17(11)12-4-6-14(19)7-5-12/h2-8,10H,1H3,(H2,21,23)
InChIKeyYWOZEQAGDOWQFK-UHFFFAOYSA-N
XLogP3.71
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-fluorophenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-fluorophenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile (CID 934091) is 2-amino-6-(4-fluorophenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-fluorophenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-fluorophenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile is Cc1c(-c2ccc(F)cc2)nc(N)c(C#N)c1-c1cccnc1.
What is the InChIKey of 2-amino-6-(4-fluorophenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile?
The InChIKey is YWOZEQAGDOWQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4/c1-11-16(13-3-2-8-22-10-13)15(9-20)18(21)23-17(11)12-4-6-14(19)7-5-12/h2-8,10H,1H3,(H2,21,23).
What are the key properties of 2-amino-6-(4-fluorophenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile?
2-amino-6-(4-fluorophenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile has a molecular weight of 304.33 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-fluorophenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 934091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).