ethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate

C16H10ClF2N3O3 — CID 134181833

IUPACethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ncc(F)cc2F)c2nc(Cl)ccc2c1=O
InChIInChI=1S/C16H10ClF2N3O3/c1-2-25-16(24)10-7-22(15-11(19)5-8(18)6-20-15)14-9(13(10)23)3-4-12(17)21-14/h3-7H,2H2,1H3
InChIKeySZGDJXTVENMWKB-UHFFFAOYSA-N
MW365.72 g/mol
LogP2.89
Rot. Bonds3

About ethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 134181833) has the molecular formula C16H10ClF2N3O3 and a molecular weight of 365.72 g/mol. Its IUPAC name is ethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID134181833
Molecular FormulaC16H10ClF2N3O3
Molecular Weight365.72 g/mol
Exact Mass365.04
IUPAC Nameethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ncc(F)cc2F)c2nc(Cl)ccc2c1=O
InChIInChI=1S/C16H10ClF2N3O3/c1-2-25-16(24)10-7-22(15-11(19)5-8(18)6-20-15)14-9(13(10)23)3-4-12(17)21-14/h3-7H,2H2,1H3
InChIKeySZGDJXTVENMWKB-UHFFFAOYSA-N
XLogP2.89
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.72
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 135355077
ethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 142434761
ethyl 7-(2-aminopropylamino)-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 139367722
CID 145440043
CID 145440043
7-chloro-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 134181342
ethyl 6-fluoro-1-(5-fluoro-2-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 10669529
ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 54318442
ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 139562601
ethyl 7-chloro-1-(7-chloro-3-ethoxycarbonylquinolin-4-yl)-4-oxoquinoline-3-carboxylate
CID 139086657
ethyl 1-(2,4-difluorophenyl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 139562602
ethyl 1-(1,3-benzothiazol-2-yl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 10938318
ethyl 7-(3-acetamidopyrrolidin-1-yl)-6-fluoro-1-(5-fluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 18985315

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate (CID 134181833) is ethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(-c2ncc(F)cc2F)c2nc(Cl)ccc2c1=O.
What is the InChIKey of ethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is SZGDJXTVENMWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2N3O3/c1-2-25-16(24)10-7-22(15-11(19)5-8(18)6-20-15)14-9(13(10)23)3-4-12(17)21-14/h3-7H,2H2,1H3.
What are the key properties of ethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 365.72 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 134181833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).