4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile

C16H9ClF2N4 — CID 69316825

IUPAC4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2cnc(F)cc2c1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H9ClF2N4/c17-12-3-9(1-2-13(12)18)6-23-16-10(5-20)7-21-14-8-22-15(19)4-11(14)16/h1-4,7-8H,6H2,(H,21,23)
InChIKeyMOLUQXWMPHUQMP-UHFFFAOYSA-N
MW330.73 g/mol
LogP4.05
Rot. Bonds3

About 4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile

4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile (PubChem CID 69316825) has the molecular formula C16H9ClF2N4 and a molecular weight of 330.73 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile
PubChem CID69316825
Molecular FormulaC16H9ClF2N4
Molecular Weight330.73 g/mol
Exact Mass330.05
IUPAC Name4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2cnc(F)cc2c1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H9ClF2N4/c17-12-3-9(1-2-13(12)18)6-23-16-10(5-20)7-21-14-8-22-15(19)4-11(14)16/h1-4,7-8H,6H2,(H,21,23)
InChIKeyMOLUQXWMPHUQMP-UHFFFAOYSA-N
XLogP4.05
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile (CID 69316825) is 4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile is N#Cc1cnc2cnc(F)cc2c1NCc1ccc(F)c(Cl)c1.
What is the InChIKey of 4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile?
The InChIKey is MOLUQXWMPHUQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N4/c17-12-3-9(1-2-13(12)18)6-23-16-10(5-20)7-21-14-8-22-15(19)4-11(14)16/h1-4,7-8H,6H2,(H,21,23).
What are the key properties of 4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile?
4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile has a molecular weight of 330.73 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 69316825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).