5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile

C16H10FN3O — CID 10446307

IUPAC5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile
SMILESCn1c(C#N)c(-c2ccc(F)cc2)c2cccnc2c1=O
InChIInChI=1S/C16H10FN3O/c1-20-13(9-18)14(10-4-6-11(17)7-5-10)12-3-2-8-19-15(12)16(20)21/h2-8H,1H3
InChIKeyRGMOBZWPFUXZMU-UHFFFAOYSA-N
MW279.27 g/mol
LogP2.61
Rot. Bonds1

About 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile

5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile (PubChem CID 10446307) has the molecular formula C16H10FN3O and a molecular weight of 279.27 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile
PubChem CID10446307
Molecular FormulaC16H10FN3O
Molecular Weight279.27 g/mol
Exact Mass279.08
IUPAC Name5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile
SMILESCn1c(C#N)c(-c2ccc(F)cc2)c2cccnc2c1=O
InChIInChI=1S/C16H10FN3O/c1-20-13(9-18)14(10-4-6-11(17)7-5-10)12-3-2-8-19-15(12)16(20)21/h2-8H,1H3
InChIKeyRGMOBZWPFUXZMU-UHFFFAOYSA-N
XLogP2.61
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile?
The IUPAC name of 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile (CID 10446307) is 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile.
What is the SMILES notation for 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile?
The canonical SMILES for 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile is Cn1c(C#N)c(-c2ccc(F)cc2)c2cccnc2c1=O.
What is the InChIKey of 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile?
The InChIKey is RGMOBZWPFUXZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O/c1-20-13(9-18)14(10-4-6-11(17)7-5-10)12-3-2-8-19-15(12)16(20)21/h2-8H,1H3.
What are the key properties of 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile?
5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile has a molecular weight of 279.27 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile is sourced from PubChem (CID 10446307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).