4-chloro-7-(difluoromethyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carbonitrile

C16H8ClF2N3O — CID 162752665

IUPAC4-chloro-7-(difluoromethyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carbonitrile
SMILESN#Cc1c(Cl)c2ccc(C(F)F)nc2n(-c2ccccc2)c1=O
InChIInChI=1S/C16H8ClF2N3O/c17-13-10-6-7-12(14(18)19)21-15(10)22(16(23)11(13)8-20)9-4-2-1-3-5-9/h1-7,14H
InChIKeyFIOQVFYSVBUJCX-UHFFFAOYSA-N
MW331.71 g/mol
LogP3.85
Rot. Bonds2

About 4-chloro-7-(difluoromethyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carbonitrile

4-chloro-7-(difluoromethyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carbonitrile (PubChem CID 162752665) has the molecular formula C16H8ClF2N3O and a molecular weight of 331.71 g/mol. Its IUPAC name is 4-chloro-7-(difluoromethyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-7-(difluoromethyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carbonitrile
PubChem CID162752665
Molecular FormulaC16H8ClF2N3O
Molecular Weight331.71 g/mol
Exact Mass331.03
IUPAC Name4-chloro-7-(difluoromethyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carbonitrile
SMILESN#Cc1c(Cl)c2ccc(C(F)F)nc2n(-c2ccccc2)c1=O
InChIInChI=1S/C16H8ClF2N3O/c17-13-10-6-7-12(14(18)19)21-15(10)22(16(23)11(13)8-20)9-4-2-1-3-5-9/h1-7,14H
InChIKeyFIOQVFYSVBUJCX-UHFFFAOYSA-N
XLogP3.85
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.71
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(difluoromethyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 4-chloro-7-(difluoromethyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carbonitrile (CID 162752665) is 4-chloro-7-(difluoromethyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-chloro-7-(difluoromethyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-chloro-7-(difluoromethyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carbonitrile is N#Cc1c(Cl)c2ccc(C(F)F)nc2n(-c2ccccc2)c1=O.
What is the InChIKey of 4-chloro-7-(difluoromethyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carbonitrile?
The InChIKey is FIOQVFYSVBUJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF2N3O/c17-13-10-6-7-12(14(18)19)21-15(10)22(16(23)11(13)8-20)9-4-2-1-3-5-9/h1-7,14H.
What are the key properties of 4-chloro-7-(difluoromethyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carbonitrile?
4-chloro-7-(difluoromethyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carbonitrile has a molecular weight of 331.71 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(difluoromethyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 162752665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).