(6-fluoro-3-pyridinyl)-(2-iodopiperidin-1-yl)methanone

C11H12FIN2O — CID 68880844

IUPAC(6-fluoro-3-pyridinyl)-(2-iodopiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)nc1)N1CCCCC1I
InChIInChI=1S/C11H12FIN2O/c12-9-5-4-8(7-14-9)11(16)15-6-2-1-3-10(15)13/h4-5,7,10H,1-3,6H2
InChIKeyNZMJNCCZSDTBMP-UHFFFAOYSA-N
MW334.13 g/mol
LogP2.61
Rot. Bonds1

About (6-fluoro-3-pyridinyl)-(2-iodopiperidin-1-yl)methanone

(6-fluoro-3-pyridinyl)-(2-iodopiperidin-1-yl)methanone (PubChem CID 68880844) has the molecular formula C11H12FIN2O and a molecular weight of 334.13 g/mol. Its IUPAC name is (6-fluoro-3-pyridinyl)-(2-iodopiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-3-pyridinyl)-(2-iodopiperidin-1-yl)methanone
PubChem CID68880844
Molecular FormulaC11H12FIN2O
Molecular Weight334.13 g/mol
Exact Mass334.00
IUPAC Name(6-fluoro-3-pyridinyl)-(2-iodopiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)nc1)N1CCCCC1I
InChIInChI=1S/C11H12FIN2O/c12-9-5-4-8(7-14-9)11(16)15-6-2-1-3-10(15)13/h4-5,7,10H,1-3,6H2
InChIKeyNZMJNCCZSDTBMP-UHFFFAOYSA-N
XLogP2.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.13
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2-cyclopentylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63978793
(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63979551
1-(6-fluoropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 63978579
1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 63972948
(2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63971232
[(4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(6-fluoro-3-pyridinyl)methanone
CID 140549002
N-cyclopropyl-1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 63979920
(6-fluoro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103719238
N-[5-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-pyridinyl]-4-fluorobenzamide
CID 58707812
[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 128965499
(6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63980528

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-pyridinyl)-(2-iodopiperidin-1-yl)methanone?
The IUPAC name of (6-fluoro-3-pyridinyl)-(2-iodopiperidin-1-yl)methanone (CID 68880844) is (6-fluoro-3-pyridinyl)-(2-iodopiperidin-1-yl)methanone.
What is the SMILES notation for (6-fluoro-3-pyridinyl)-(2-iodopiperidin-1-yl)methanone?
The canonical SMILES for (6-fluoro-3-pyridinyl)-(2-iodopiperidin-1-yl)methanone is O=C(c1ccc(F)nc1)N1CCCCC1I.
What is the InChIKey of (6-fluoro-3-pyridinyl)-(2-iodopiperidin-1-yl)methanone?
The InChIKey is NZMJNCCZSDTBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FIN2O/c12-9-5-4-8(7-14-9)11(16)15-6-2-1-3-10(15)13/h4-5,7,10H,1-3,6H2.
What are the key properties of (6-fluoro-3-pyridinyl)-(2-iodopiperidin-1-yl)methanone?
(6-fluoro-3-pyridinyl)-(2-iodopiperidin-1-yl)methanone has a molecular weight of 334.13 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-pyridinyl)-(2-iodopiperidin-1-yl)methanone is sourced from PubChem (CID 68880844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).