(2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone

C11H11Cl2FN2O — CID 172648288

IUPAC(2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ncc1Cl)N1CCC(F)CC1
InChIInChI=1S/C11H11Cl2FN2O/c12-9-6-15-10(13)5-8(9)11(17)16-3-1-7(14)2-4-16/h5-7H,1-4H2
InChIKeySCTITIAFENMZEG-UHFFFAOYSA-N
MW277.13 g/mol
LogP2.96
Rot. Bonds1

About (2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone

(2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone (PubChem CID 172648288) has the molecular formula C11H11Cl2FN2O and a molecular weight of 277.13 g/mol. Its IUPAC name is (2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone
PubChem CID172648288
Molecular FormulaC11H11Cl2FN2O
Molecular Weight277.13 g/mol
Exact Mass276.02
IUPAC Name(2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ncc1Cl)N1CCC(F)CC1
InChIInChI=1S/C11H11Cl2FN2O/c12-9-6-15-10(13)5-8(9)11(17)16-3-1-7(14)2-4-16/h5-7H,1-4H2
InChIKeySCTITIAFENMZEG-UHFFFAOYSA-N
XLogP2.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 114917004
(2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114918451
(2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668644
(2,5-dichloro-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 114918455
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2,5-dichloro-4-pyridinyl)methanone
CID 114917996
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2,5-dichloro-4-pyridinyl)methanone
CID 114918468
(2,5-dichloro-4-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 114917342
(2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648286
2-(2,5-dichloropyridine-4-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 114918779
4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 114918581
(2,5-dichloro-4-pyridinyl)-(oxazinan-2-yl)methanone
CID 114918819
(2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 114923213

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone?
The IUPAC name of (2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone (CID 172648288) is (2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone.
What is the SMILES notation for (2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone?
The canonical SMILES for (2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone is O=C(c1cc(Cl)ncc1Cl)N1CCC(F)CC1.
What is the InChIKey of (2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone?
The InChIKey is SCTITIAFENMZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2FN2O/c12-9-6-15-10(13)5-8(9)11(17)16-3-1-7(14)2-4-16/h5-7H,1-4H2.
What are the key properties of (2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone?
(2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone has a molecular weight of 277.13 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone is sourced from PubChem (CID 172648288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).