7-chloro-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amine

C16H12ClF2N3O2 — CID 155259775

IUPAC7-chloro-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amine
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc(Cl)cc3nc2N)c1F
InChIInChI=1S/C16H12ClF2N3O2/c1-23-10-5-11(24-2)15(19)13(14(10)18)8-3-7-6-21-12(17)4-9(7)22-16(8)20/h3-6H,1-2H3,(H2,20,22)
InChIKeyHNNPZNJVTQGDSU-UHFFFAOYSA-N
MW351.74 g/mol
LogP3.83
Rot. Bonds3

About 7-chloro-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amine

7-chloro-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amine (PubChem CID 155259775) has the molecular formula C16H12ClF2N3O2 and a molecular weight of 351.74 g/mol. Its IUPAC name is 7-chloro-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amine.

Molecular Properties

Compound Name7-chloro-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amine
PubChem CID155259775
Molecular FormulaC16H12ClF2N3O2
Molecular Weight351.74 g/mol
Exact Mass351.06
IUPAC Name7-chloro-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amine
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc(Cl)cc3nc2N)c1F
InChIInChI=1S/C16H12ClF2N3O2/c1-23-10-5-11(24-2)15(19)13(14(10)18)8-3-7-6-21-12(17)4-9(7)22-16(8)20/h3-6H,1-2H3,(H2,20,22)
InChIKeyHNNPZNJVTQGDSU-UHFFFAOYSA-N
XLogP3.83
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 7-chloro-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amine?
The IUPAC name of 7-chloro-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amine (CID 155259775) is 7-chloro-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amine.
What is the SMILES notation for 7-chloro-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amine?
The canonical SMILES for 7-chloro-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amine is COc1cc(OC)c(F)c(-c2cc3cnc(Cl)cc3nc2N)c1F.
What is the InChIKey of 7-chloro-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amine?
The InChIKey is HNNPZNJVTQGDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O2/c1-23-10-5-11(24-2)15(19)13(14(10)18)8-3-7-6-21-12(17)4-9(7)22-16(8)20/h3-6H,1-2H3,(H2,20,22).
What are the key properties of 7-chloro-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amine?
7-chloro-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amine has a molecular weight of 351.74 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amine is sourced from PubChem (CID 155259775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).