9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid

C9H5FN2O3 — CID 115025656

IUPAC9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(F)cccn2c1=O
InChIInChI=1S/C9H5FN2O3/c10-6-2-1-3-12-7(6)11-4-5(8(12)13)9(14)15/h1-4H,(H,14,15)
InChIKeyAFZGEHKSWFOFQU-UHFFFAOYSA-N
MW208.15 g/mol
LogP0.53
Rot. Bonds1

About 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid

9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 115025656) has the molecular formula C9H5FN2O3 and a molecular weight of 208.15 g/mol. Its IUPAC name is 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID115025656
Molecular FormulaC9H5FN2O3
Molecular Weight208.15 g/mol
Exact Mass208.03
IUPAC Name9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(F)cccn2c1=O
InChIInChI=1S/C9H5FN2O3/c10-6-2-1-3-12-7(6)11-4-5(8(12)13)9(14)15/h1-4H,(H,14,15)
InChIKeyAFZGEHKSWFOFQU-UHFFFAOYSA-N
XLogP0.53
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 55265827
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
2-(8-fluoroimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 83883604
1-fluoro-4-oxoquinolizine-3-carboxylic acid
CID 56610835
8-fluoroimidazo[1,2-a]pyridine-3-sulfonyl chloride
CID 84698128
7-methyl-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylic acid
CID 13386488
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 121384946
4-oxo-8-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 115048141
N-butyl-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364466
3-(sulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256926
2-(9-amino-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetic acid
CID 115031157
8-fluoro-N'-hydroxyimidazo[1,2-a]pyridine-3-carboximidamide
CID 83878689

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid (CID 115025656) is 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnc2c(F)cccn2c1=O.
What is the InChIKey of 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is AFZGEHKSWFOFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O3/c10-6-2-1-3-12-7(6)11-4-5(8(12)13)9(14)15/h1-4H,(H,14,15).
What are the key properties of 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 208.15 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 115025656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).