6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine

C14H7ClFN3O3 — CID 156871736

IUPAC6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccnc3cnc(Cl)cc23)c(F)c1
InChIInChI=1S/C14H7ClFN3O3/c15-14-6-9-11(7-18-14)17-4-3-12(9)22-13-2-1-8(19(20)21)5-10(13)16/h1-7H
InChIKeyWYQWIDQBAGHOBB-UHFFFAOYSA-N
MW319.68 g/mol
LogP4.12
Rot. Bonds3

About 6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine

6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine (PubChem CID 156871736) has the molecular formula C14H7ClFN3O3 and a molecular weight of 319.68 g/mol. Its IUPAC name is 6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine.

Molecular Properties

Compound Name6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine
PubChem CID156871736
Molecular FormulaC14H7ClFN3O3
Molecular Weight319.68 g/mol
Exact Mass319.02
IUPAC Name6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccnc3cnc(Cl)cc23)c(F)c1
InChIInChI=1S/C14H7ClFN3O3/c15-14-6-9-11(7-18-14)17-4-3-12(9)22-13-2-1-8(19(20)21)5-10(13)16/h1-7H
InChIKeyWYQWIDQBAGHOBB-UHFFFAOYSA-N
XLogP4.12
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.68
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
CID 134392084
ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
CID 143647632
4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine
CID 68515325
methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate
CID 66916355
2-bromo-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine
CID 59424521
CID 89281854
CID 89281854
4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine
CID 59852937
2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine
CID 116519429
7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid
CID 59424536
ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine
CID 143171687
2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol
CID 69341594
7-(2-fluoro-4-nitrophenoxy)-2-(5-methyl-2-pyridinyl)thieno[3,2-b]pyridine
CID 174676619

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine?
The IUPAC name of 6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine (CID 156871736) is 6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine.
What is the SMILES notation for 6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine?
The canonical SMILES for 6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine is O=[N+]([O-])c1ccc(Oc2ccnc3cnc(Cl)cc23)c(F)c1.
What is the InChIKey of 6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine?
The InChIKey is WYQWIDQBAGHOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFN3O3/c15-14-6-9-11(7-18-14)17-4-3-12(9)22-13-2-1-8(19(20)21)5-10(13)16/h1-7H.
What are the key properties of 6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine?
6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine has a molecular weight of 319.68 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine is sourced from PubChem (CID 156871736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).