4-chloro-2-oxo-1-phenyl-7-(trifluoromethyl)-1,5-naphthyridine-3-carbonitrile

C16H7ClF3N3O — CID 162752657

IUPAC4-chloro-2-oxo-1-phenyl-7-(trifluoromethyl)-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c(Cl)c2ncc(C(F)(F)F)cc2n(-c2ccccc2)c1=O
InChIInChI=1S/C16H7ClF3N3O/c17-13-11(7-21)15(24)23(10-4-2-1-3-5-10)12-6-9(16(18,19)20)8-22-14(12)13/h1-6,8H
InChIKeyKHTVQUBRMYLRHB-UHFFFAOYSA-N
MW349.70 g/mol
LogP3.93
Rot. Bonds1

About 4-chloro-2-oxo-1-phenyl-7-(trifluoromethyl)-1,5-naphthyridine-3-carbonitrile

4-chloro-2-oxo-1-phenyl-7-(trifluoromethyl)-1,5-naphthyridine-3-carbonitrile (PubChem CID 162752657) has the molecular formula C16H7ClF3N3O and a molecular weight of 349.70 g/mol. Its IUPAC name is 4-chloro-2-oxo-1-phenyl-7-(trifluoromethyl)-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-oxo-1-phenyl-7-(trifluoromethyl)-1,5-naphthyridine-3-carbonitrile
PubChem CID162752657
Molecular FormulaC16H7ClF3N3O
Molecular Weight349.70 g/mol
Exact Mass349.02
IUPAC Name4-chloro-2-oxo-1-phenyl-7-(trifluoromethyl)-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c(Cl)c2ncc(C(F)(F)F)cc2n(-c2ccccc2)c1=O
InChIInChI=1S/C16H7ClF3N3O/c17-13-11(7-21)15(24)23(10-4-2-1-3-5-10)12-6-9(16(18,19)20)8-22-14(12)13/h1-6,8H
InChIKeyKHTVQUBRMYLRHB-UHFFFAOYSA-N
XLogP3.93
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.70
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-oxo-1-phenyl-7-(trifluoromethyl)-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 4-chloro-2-oxo-1-phenyl-7-(trifluoromethyl)-1,5-naphthyridine-3-carbonitrile (CID 162752657) is 4-chloro-2-oxo-1-phenyl-7-(trifluoromethyl)-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-chloro-2-oxo-1-phenyl-7-(trifluoromethyl)-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-chloro-2-oxo-1-phenyl-7-(trifluoromethyl)-1,5-naphthyridine-3-carbonitrile is N#Cc1c(Cl)c2ncc(C(F)(F)F)cc2n(-c2ccccc2)c1=O.
What is the InChIKey of 4-chloro-2-oxo-1-phenyl-7-(trifluoromethyl)-1,5-naphthyridine-3-carbonitrile?
The InChIKey is KHTVQUBRMYLRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7ClF3N3O/c17-13-11(7-21)15(24)23(10-4-2-1-3-5-10)12-6-9(16(18,19)20)8-22-14(12)13/h1-6,8H.
What are the key properties of 4-chloro-2-oxo-1-phenyl-7-(trifluoromethyl)-1,5-naphthyridine-3-carbonitrile?
4-chloro-2-oxo-1-phenyl-7-(trifluoromethyl)-1,5-naphthyridine-3-carbonitrile has a molecular weight of 349.70 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-oxo-1-phenyl-7-(trifluoromethyl)-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 162752657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).