6-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid

C12H11FN2O3 — CID 120552601

IUPAC6-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)N2CCC=C(F)C2)n1
InChIInChI=1S/C12H11FN2O3/c13-8-3-2-6-15(7-8)11(16)9-4-1-5-10(14-9)12(17)18/h1,3-5H,2,6-7H2,(H,17,18)
InChIKeyDBJLTFIIIKAOEQ-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.48
Rot. Bonds2

About 6-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid

6-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid (PubChem CID 120552601) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 6-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
PubChem CID120552601
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name6-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)N2CCC=C(F)C2)n1
InChIInChI=1S/C12H11FN2O3/c13-8-3-2-6-15(7-8)11(16)9-4-1-5-10(14-9)12(17)18/h1,3-5H,2,6-7H2,(H,17,18)
InChIKeyDBJLTFIIIKAOEQ-UHFFFAOYSA-N
XLogP1.48
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone
CID 154752021
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
CID 91986542
CID 91986542
6-(1,4-diazepane-1-carbonyl)pyridine-2-carboxylic acid
CID 61402777
(6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 115497823
6-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)pyridine-2-carboxylic acid
CID 107457863
4-(6-fluoropyridine-2-carbonyl)piperazin-2-one
CID 115496615
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 126787976
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-piperidin-1-ylmethanone
CID 166214944
6-[4-[2-(3-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119182737
6-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridine-2-carboxylic acid
CID 120699138
6-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)pyridine-2-carboxylic acid
CID 119185414

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid (CID 120552601) is 6-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)N2CCC=C(F)C2)n1.
What is the InChIKey of 6-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is DBJLTFIIIKAOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c13-8-3-2-6-15(7-8)11(16)9-4-1-5-10(14-9)12(17)18/h1,3-5H,2,6-7H2,(H,17,18).
What are the key properties of 6-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid?
6-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 250.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 120552601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).