4-(6-carbamoyl-3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

C12H12FN3O3 — CID 121414955

IUPAC4-(6-carbamoyl-3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESNC(=O)c1ccc(F)c(C2=CCN(C(=O)O)CC2)n1
InChIInChI=1S/C12H12FN3O3/c13-8-1-2-9(11(14)17)15-10(8)7-3-5-16(6-4-7)12(18)19/h1-3H,4-6H2,(H2,14,17)(H,18,19)
InChIKeyAFCORGKODFOLHZ-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.09
Rot. Bonds2

About 4-(6-carbamoyl-3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-(6-carbamoyl-3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 121414955) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 4-(6-carbamoyl-3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-carbamoyl-3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID121414955
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name4-(6-carbamoyl-3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESNC(=O)c1ccc(F)c(C2=CCN(C(=O)O)CC2)n1
InChIInChI=1S/C12H12FN3O3/c13-8-1-2-9(11(14)17)15-10(8)7-3-5-16(6-4-7)12(18)19/h1-3H,4-6H2,(H2,14,17)(H,18,19)
InChIKeyAFCORGKODFOLHZ-UHFFFAOYSA-N
XLogP1.09
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-carbamoyl-3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-(6-carbamoyl-3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 121414955) is 4-(6-carbamoyl-3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-(6-carbamoyl-3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-(6-carbamoyl-3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is NC(=O)c1ccc(F)c(C2=CCN(C(=O)O)CC2)n1.
What is the InChIKey of 4-(6-carbamoyl-3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is AFCORGKODFOLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c13-8-1-2-9(11(14)17)15-10(8)7-3-5-16(6-4-7)12(18)19/h1-3H,4-6H2,(H2,14,17)(H,18,19).
What are the key properties of 4-(6-carbamoyl-3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-(6-carbamoyl-3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 265.24 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-carbamoyl-3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 121414955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).