3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide

C11H12F2N2O2 — CID 126857124

IUPAC3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCCOC1F)c1ccncc1F
InChIInChI=1S/C11H12F2N2O2/c12-8-6-14-4-3-7(8)11(16)15-9-2-1-5-17-10(9)13/h3-4,6,9-10H,1-2,5H2,(H,15,16)
InChIKeyDXRWZYNKYHTBGL-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.43
Rot. Bonds2

About 3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide

3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide (PubChem CID 126857124) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is 3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide
PubChem CID126857124
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCCOC1F)c1ccncc1F
InChIInChI=1S/C11H12F2N2O2/c12-8-6-14-4-3-7(8)11(16)15-9-2-1-5-17-10(9)13/h3-4,6,9-10H,1-2,5H2,(H,15,16)
InChIKeyDXRWZYNKYHTBGL-UHFFFAOYSA-N
XLogP1.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950714
N-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
CID 115645871
N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
3-fluoro-N-(2-methylcyclopropyl)pyridine-4-carboxamide
CID 115646459
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950701
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-3-fluoropyridine-4-carboxamide
CID 129003452
N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64950869
3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride
CID 117073389
N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646668
3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64951456
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide
CID 91761132
N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide
CID 64951103

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide (CID 126857124) is 3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide is O=C(NC1CCCOC1F)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide?
The InChIKey is DXRWZYNKYHTBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c12-8-6-14-4-3-7(8)11(16)15-9-2-1-5-17-10(9)13/h3-4,6,9-10H,1-2,5H2,(H,15,16).
What are the key properties of 3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide?
3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide has a molecular weight of 242.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 126857124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).