1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile

C12H12FN3O — CID 104638536

IUPAC1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(C(=O)c2ccc(F)cn2)C1
InChIInChI=1S/C12H12FN3O/c13-10-3-4-11(15-7-10)12(17)16-5-1-2-9(6-14)8-16/h3-4,7,9H,1-2,5,8H2
InChIKeyIOGPIGBDWWOWPH-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.60
Rot. Bonds1

About 1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile

1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile (PubChem CID 104638536) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile
PubChem CID104638536
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(C(=O)c2ccc(F)cn2)C1
InChIInChI=1S/C12H12FN3O/c13-10-3-4-11(15-7-10)12(17)16-5-1-2-9(6-14)8-16/h3-4,7,9H,1-2,5,8H2
InChIKeyIOGPIGBDWWOWPH-UHFFFAOYSA-N
XLogP1.60
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 104643088
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 102983529
(3-bromo-4-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 102961974
[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196342
1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 113435785
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile
CID 81446161
[4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 104643097
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109192409
[4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 106839149
1-(3-bromo-4-chlorobenzoyl)piperidine-3-carbonitrile
CID 114025845
1-(3-bromo-4-methylbenzoyl)piperidine-3-carbonitrile
CID 81471933
1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile
CID 45180937

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile?
The IUPAC name of 1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile (CID 104638536) is 1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile is N#CC1CCCN(C(=O)c2ccc(F)cn2)C1.
What is the InChIKey of 1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile?
The InChIKey is IOGPIGBDWWOWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-10-3-4-11(15-7-10)12(17)16-5-1-2-9(6-14)8-16/h3-4,7,9H,1-2,5,8H2.
What are the key properties of 1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile?
1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile has a molecular weight of 233.25 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile is sourced from PubChem (CID 104638536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).