2-(5-chloro-3-fluoro-2-pyridinyl)pentan-3-one

C10H11ClFNO — CID 79734363

IUPAC2-(5-chloro-3-fluoro-2-pyridinyl)pentan-3-one
SMILESCCC(=O)C(C)c1ncc(Cl)cc1F
InChIInChI=1S/C10H11ClFNO/c1-3-9(14)6(2)10-8(12)4-7(11)5-13-10/h4-6H,3H2,1-2H3
InChIKeyQGXCMOTWJDEFBL-UHFFFAOYSA-N
MW215.65 g/mol
LogP2.96
Rot. Bonds3

About 2-(5-chloro-3-fluoro-2-pyridinyl)pentan-3-one

2-(5-chloro-3-fluoro-2-pyridinyl)pentan-3-one (PubChem CID 79734363) has the molecular formula C10H11ClFNO and a molecular weight of 215.65 g/mol. Its IUPAC name is 2-(5-chloro-3-fluoro-2-pyridinyl)pentan-3-one.

Molecular Properties

Compound Name2-(5-chloro-3-fluoro-2-pyridinyl)pentan-3-one
PubChem CID79734363
Molecular FormulaC10H11ClFNO
Molecular Weight215.65 g/mol
Exact Mass215.05
IUPAC Name2-(5-chloro-3-fluoro-2-pyridinyl)pentan-3-one
SMILESCCC(=O)C(C)c1ncc(Cl)cc1F
InChIInChI=1S/C10H11ClFNO/c1-3-9(14)6(2)10-8(12)4-7(11)5-13-10/h4-6H,3H2,1-2H3
InChIKeyQGXCMOTWJDEFBL-UHFFFAOYSA-N
XLogP2.96
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.65
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromobutan-2-yl)-5-chloro-3-fluoropyridine
CID 79733651
2-(5-chloro-3-fluoro-2-pyridinyl)-N-methylpentan-3-amine
CID 79733649
N-[3-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829808
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide
CID 79728652
2-(4-chloro-2-fluorophenyl)pentan-3-one;N-methylethanamine
CID 143606922
2-(3,4-difluorophenyl)pentan-3-one
CID 79307864
2-(3,6-dimethylpyrazin-2-yl)pentan-3-one
CID 63549987
2-(5-bromo-2-fluorophenyl)pentan-3-one
CID 82973911
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 79727927
2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid
CID 104572872
N-butan-2-yl-5-chloro-3-fluoro-N-methylpyridin-2-amine
CID 79728281
ethyl 2-[[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]amino]pyrimidine-5-carboxylate
CID 121264754

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-fluoro-2-pyridinyl)pentan-3-one?
The IUPAC name of 2-(5-chloro-3-fluoro-2-pyridinyl)pentan-3-one (CID 79734363) is 2-(5-chloro-3-fluoro-2-pyridinyl)pentan-3-one.
What is the SMILES notation for 2-(5-chloro-3-fluoro-2-pyridinyl)pentan-3-one?
The canonical SMILES for 2-(5-chloro-3-fluoro-2-pyridinyl)pentan-3-one is CCC(=O)C(C)c1ncc(Cl)cc1F.
What is the InChIKey of 2-(5-chloro-3-fluoro-2-pyridinyl)pentan-3-one?
The InChIKey is QGXCMOTWJDEFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-3-9(14)6(2)10-8(12)4-7(11)5-13-10/h4-6H,3H2,1-2H3.
What are the key properties of 2-(5-chloro-3-fluoro-2-pyridinyl)pentan-3-one?
2-(5-chloro-3-fluoro-2-pyridinyl)pentan-3-one has a molecular weight of 215.65 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-fluoro-2-pyridinyl)pentan-3-one is sourced from PubChem (CID 79734363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).