7-(azetidin-1-yl)-6-chloro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

C12H10ClN3O3 — CID 10062174

IUPAC7-(azetidin-1-yl)-6-chloro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2nc(N3CCC3)c(Cl)cc2c1=O
InChIInChI=1S/C12H10ClN3O3/c13-8-4-6-9(17)7(12(18)19)5-14-10(6)15-11(8)16-2-1-3-16/h4-5H,1-3H2,(H,18,19)(H,14,15,17)
InChIKeyXJWWEUVLVMCOFP-UHFFFAOYSA-N
MW279.68 g/mol
LogP1.48
Rot. Bonds2

About 7-(azetidin-1-yl)-6-chloro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

7-(azetidin-1-yl)-6-chloro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 10062174) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 7-(azetidin-1-yl)-6-chloro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(azetidin-1-yl)-6-chloro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
PubChem CID10062174
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name7-(azetidin-1-yl)-6-chloro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2nc(N3CCC3)c(Cl)cc2c1=O
InChIInChI=1S/C12H10ClN3O3/c13-8-4-6-9(17)7(12(18)19)5-14-10(6)15-11(8)16-2-1-3-16/h4-5H,1-3H2,(H,18,19)(H,14,15,17)
InChIKeyXJWWEUVLVMCOFP-UHFFFAOYSA-N
XLogP1.48
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(azetidin-1-yl)-6-chloro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(azetidin-1-yl)-6-chloro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (CID 10062174) is 7-(azetidin-1-yl)-6-chloro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(azetidin-1-yl)-6-chloro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(azetidin-1-yl)-6-chloro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1c[nH]c2nc(N3CCC3)c(Cl)cc2c1=O.
What is the InChIKey of 7-(azetidin-1-yl)-6-chloro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is XJWWEUVLVMCOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c13-8-4-6-9(17)7(12(18)19)5-14-10(6)15-11(8)16-2-1-3-16/h4-5H,1-3H2,(H,18,19)(H,14,15,17).
What are the key properties of 7-(azetidin-1-yl)-6-chloro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
7-(azetidin-1-yl)-6-chloro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 279.68 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azetidin-1-yl)-6-chloro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 10062174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).