1-[(1R,2R)-2-fluorocyclopropyl]-2-oxopyridine-3-carboxylic acid

C9H8FNO3 — CID 137457643

IUPAC1-[(1R,2R)-2-fluorocyclopropyl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn([C@@H]2C[C@H]2F)c1=O
InChIInChI=1S/C9H8FNO3/c10-6-4-7(6)11-3-1-2-5(8(11)12)9(13)14/h1-3,6-7H,4H2,(H,13,14)/t6-,7-/m1/s1
InChIKeyZMNOPMYWELKLAX-RNFRBKRXSA-N
MW197.16 g/mol
LogP0.83
Rot. Bonds2

About 1-[(1R,2R)-2-fluorocyclopropyl]-2-oxopyridine-3-carboxylic acid

1-[(1R,2R)-2-fluorocyclopropyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 137457643) has the molecular formula C9H8FNO3 and a molecular weight of 197.16 g/mol. Its IUPAC name is 1-[(1R,2R)-2-fluorocyclopropyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1R,2R)-2-fluorocyclopropyl]-2-oxopyridine-3-carboxylic acid
PubChem CID137457643
Molecular FormulaC9H8FNO3
Molecular Weight197.16 g/mol
Exact Mass197.05
IUPAC Name1-[(1R,2R)-2-fluorocyclopropyl]-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn([C@@H]2C[C@H]2F)c1=O
InChIInChI=1S/C9H8FNO3/c10-6-4-7(6)11-3-1-2-5(8(11)12)9(13)14/h1-3,6-7H,4H2,(H,13,14)/t6-,7-/m1/s1
InChIKeyZMNOPMYWELKLAX-RNFRBKRXSA-N
XLogP0.83
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-Dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CID 14998715
1-Cyclopropyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 72942813
5-Bromo-1-cyclopropyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 82665410
3-Pyridinecarboxylic acid, 1-cyclobutyl-1,2-dihydro-2-oxo-
CID 86277097
4-oxo-4H-quinolizine-3-carboxylic acid
CID 15632080
7-Fluoro-4-oxoquinolizine-3-carboxylic acid
CID 56608262
1-Fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 56609217
1-Fluoro-4-oxoquinolizine-3-carboxylic acid
CID 56610835
9-(Fluoromethyl)-4-oxoquinolizine-3-carboxylic acid
CID 56618208
5-Fluoro-1-Isopropyl-6-Methyl-2-oxo-1,2-Dihydropyridine-3-Carboxylic Acid
CID 59255056
1-(2,2-Difluoroethyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 63937616
2-Oxo-1-(2,2,2-trifluoroethyl)-1,2-dihydropyridine-3-carboxylic acid
CID 63937618

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-fluorocyclopropyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(1R,2R)-2-fluorocyclopropyl]-2-oxopyridine-3-carboxylic acid (CID 137457643) is 1-[(1R,2R)-2-fluorocyclopropyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(1R,2R)-2-fluorocyclopropyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(1R,2R)-2-fluorocyclopropyl]-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn([C@@H]2C[C@H]2F)c1=O.
What is the InChIKey of 1-[(1R,2R)-2-fluorocyclopropyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is ZMNOPMYWELKLAX-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H8FNO3/c10-6-4-7(6)11-3-1-2-5(8(11)12)9(13)14/h1-3,6-7H,4H2,(H,13,14)/t6-,7-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-fluorocyclopropyl]-2-oxopyridine-3-carboxylic acid?
1-[(1R,2R)-2-fluorocyclopropyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 197.16 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-fluorocyclopropyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 137457643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).