4-amino-6-fluorocinnoline-3-carboxylic acid

C9H6FN3O2 — CID 3074774

IUPAC4-amino-6-fluorocinnoline-3-carboxylic acid
SMILESNc1c(C(=O)O)nnc2ccc(F)cc12
InChIInChI=1S/C9H6FN3O2/c10-4-1-2-6-5(3-4)7(11)8(9(14)15)13-12-6/h1-3H,(H2,11,12)(H,14,15)
InChIKeyQBUGYSNCFMFXMD-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.05
Rot. Bonds1

About 4-amino-6-fluorocinnoline-3-carboxylic acid

4-amino-6-fluorocinnoline-3-carboxylic acid (PubChem CID 3074774) has the molecular formula C9H6FN3O2 and a molecular weight of 207.16 g/mol. Its IUPAC name is 4-amino-6-fluorocinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-fluorocinnoline-3-carboxylic acid
PubChem CID3074774
Molecular FormulaC9H6FN3O2
Molecular Weight207.16 g/mol
Exact Mass207.04
IUPAC Name4-amino-6-fluorocinnoline-3-carboxylic acid
SMILESNc1c(C(=O)O)nnc2ccc(F)cc12
InChIInChI=1S/C9H6FN3O2/c10-4-1-2-6-5(3-4)7(11)8(9(14)15)13-12-6/h1-3H,(H2,11,12)(H,14,15)
InChIKeyQBUGYSNCFMFXMD-UHFFFAOYSA-N
XLogP1.05
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-6-fluoroquinoline-3-carboxylic acid;dihydrate
CID 73012700
4-amino-N-benzyl-7-fluorocinnoline-3-carboxamide
CID 10685342
4-amino-6-iodocinnoline-3-carboxamide
CID 71061186
4-(3-fluorophenoxy)cinnoline-3-carboxylic acid
CID 64623305
6-fluoro-2-(4-fluorophenyl)quinazoline-4-carboxylic acid
CID 90410713
6-fluoro-2-methylquinazoline-4-carboxamide
CID 171383958
5-fluoro-1,2-benzothiazole-3-carboxylic acid
CID 53212774
2-bromo-6-fluoroquinoline-4-carboxylic acid
CID 82184190
7-fluoroisoquinoline-1-carboxamide
CID 82573928
4-fluorocinnoline-3-carboxamide
CID 154140705
(4-amino-6-fluoroquinolin-3-yl)methanol
CID 115018882
4-amino-5,7-dimethylcinnoline-3-carboxylic acid
CID 82393494

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-fluorocinnoline-3-carboxylic acid?
The IUPAC name of 4-amino-6-fluorocinnoline-3-carboxylic acid (CID 3074774) is 4-amino-6-fluorocinnoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-6-fluorocinnoline-3-carboxylic acid?
The canonical SMILES for 4-amino-6-fluorocinnoline-3-carboxylic acid is Nc1c(C(=O)O)nnc2ccc(F)cc12.
What is the InChIKey of 4-amino-6-fluorocinnoline-3-carboxylic acid?
The InChIKey is QBUGYSNCFMFXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O2/c10-4-1-2-6-5(3-4)7(11)8(9(14)15)13-12-6/h1-3H,(H2,11,12)(H,14,15).
What are the key properties of 4-amino-6-fluorocinnoline-3-carboxylic acid?
4-amino-6-fluorocinnoline-3-carboxylic acid has a molecular weight of 207.16 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-fluorocinnoline-3-carboxylic acid is sourced from PubChem (CID 3074774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).