8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid

C9H5FN2O3 — CID 102941662

IUPAC8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(F)cncc2c1=O
InChIInChI=1S/C9H5FN2O3/c10-6-3-11-1-4-7(6)12-2-5(8(4)13)9(14)15/h1-3H,(H,12,13)(H,14,15)
InChIKeyQDDQRFRUNLUOQB-UHFFFAOYSA-N
MW208.15 g/mol
LogP0.76
Rot. Bonds1

About 8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid

8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid (PubChem CID 102941662) has the molecular formula C9H5FN2O3 and a molecular weight of 208.15 g/mol. Its IUPAC name is 8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid
PubChem CID102941662
Molecular FormulaC9H5FN2O3
Molecular Weight208.15 g/mol
Exact Mass208.03
IUPAC Name8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(F)cncc2c1=O
InChIInChI=1S/C9H5FN2O3/c10-6-3-11-1-4-7(6)12-2-5(8(4)13)9(14)15/h1-3H,(H,12,13)(H,14,15)
InChIKeyQDDQRFRUNLUOQB-UHFFFAOYSA-N
XLogP0.76
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 53413169
8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid
CID 102941658
6,8-difluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 5107860
6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 14455621
7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 133063787
6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 11806724
4-fluoro-2,6-dioxo-9H-[1,2,5]thiadiazolo[3,4-h]quinoline-7-carboxylic acid
CID 137346140
7-fluoro-1H-indole-3-carboxylic acid
CID 28806320
7-fluoro-5-methyl-1H-indole-3-carboxylic acid
CID 130048529
7-chloro-6-fluoro-4-oxo-8-sulfo-1H-quinoline-3-carboxylic acid
CID 11141790
CID 87579220
CID 87579220
7-fluoro-6-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid;methanethiol
CID 142937709

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid (CID 102941662) is 8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid is O=C(O)c1c[nH]c2c(F)cncc2c1=O.
What is the InChIKey of 8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is QDDQRFRUNLUOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O3/c10-6-3-11-1-4-7(6)12-2-5(8(4)13)9(14)15/h1-3H,(H,12,13)(H,14,15).
What are the key properties of 8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid?
8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 208.15 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 102941662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).