(3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone

C11H12ClFN2O — CID 104643088

IUPAC(3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
SMILESO=C(c1ccc(F)cn1)N1CCCC(Cl)C1
InChIInChI=1S/C11H12ClFN2O/c12-8-2-1-5-15(7-8)11(16)10-4-3-9(13)6-14-10/h3-4,6,8H,1-2,5,7H2
InChIKeyQWLNZMLWAXPCMZ-UHFFFAOYSA-N
MW242.68 g/mol
LogP2.06
Rot. Bonds1

About (3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone

(3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone (PubChem CID 104643088) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is (3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
PubChem CID104643088
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC Name(3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
SMILESO=C(c1ccc(F)cn1)N1CCCC(Cl)C1
InChIInChI=1S/C11H12ClFN2O/c12-8-2-1-5-15(7-8)11(16)10-4-3-9(13)6-14-10/h3-4,6,8H,1-2,5,7H2
InChIKeyQWLNZMLWAXPCMZ-UHFFFAOYSA-N
XLogP2.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 102983529
1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile
CID 104638536
[4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 104643097
(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
[(3S)-4-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepan-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 95476377
[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
N-cyclopropyl-1-[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56918441
2-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116681608
(5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211702

Frequently Asked Questions

What is the IUPAC name of (3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone?
The IUPAC name of (3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone (CID 104643088) is (3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for (3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone?
The canonical SMILES for (3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone is O=C(c1ccc(F)cn1)N1CCCC(Cl)C1.
What is the InChIKey of (3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone?
The InChIKey is QWLNZMLWAXPCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c12-8-2-1-5-15(7-8)11(16)10-4-3-9(13)6-14-10/h3-4,6,8H,1-2,5,7H2.
What are the key properties of (3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone?
(3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone has a molecular weight of 242.68 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 104643088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).