(2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone

C13H16ClFN2O — CID 113347117

IUPAC(2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2cc(F)cnc2Cl)C1
InChIInChI=1S/C13H16ClFN2O/c1-2-9-4-3-5-17(8-9)13(18)11-6-10(15)7-16-12(11)14/h6-7,9H,2-5,8H2,1H3
InChIKeyFWYAQDMLMIYCQB-UHFFFAOYSA-N
MW270.73 g/mol
LogP3.14
Rot. Bonds2

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

(2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone (PubChem CID 113347117) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is (2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
PubChem CID113347117
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name(2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2cc(F)cnc2Cl)C1
InChIInChI=1S/C13H16ClFN2O/c1-2-9-4-3-5-17(8-9)13(18)11-6-10(15)7-16-12(11)14/h6-7,9H,2-5,8H2,1H3
InChIKeyFWYAQDMLMIYCQB-UHFFFAOYSA-N
XLogP3.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 53.14
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-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 43430237
(5-bromo-2-chloro-3-pyridinyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697918
(1-chloroisoquinolin-4-yl)-(3-ethylpiperidin-1-yl)methanone
CID 106765973
(2-chloro-5-fluoro-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114034306
(2-chloro-5-fluoro-3-pyridinyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 103892263
(5-bromo-2-chloro-3-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855464
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
(3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 55158690
[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299541
2-(3-ethylpiperidine-1-carbonyl)benzoic acid
CID 43584267
(3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 43430151
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone (CID 113347117) is (2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone is CCC1CCCN(C(=O)c2cc(F)cnc2Cl)C1.
What is the InChIKey of (2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone?
The InChIKey is FWYAQDMLMIYCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-2-9-4-3-5-17(8-9)13(18)11-6-10(15)7-16-12(11)14/h6-7,9H,2-5,8H2,1H3.
What are the key properties of (2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone?
(2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone has a molecular weight of 270.73 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 113347117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).