1-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrrol-2-yl]ethanone

C11H8ClFN2O — CID 143866898

IUPAC1-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1-c1ncc(F)cc1Cl
InChIInChI=1S/C11H8ClFN2O/c1-7(16)10-3-2-4-15(10)11-9(12)5-8(13)6-14-11/h2-6H,1H3
InChIKeyZNGLVYNXZXHFCX-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.87
Rot. Bonds2

About 1-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrrol-2-yl]ethanone

1-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrrol-2-yl]ethanone (PubChem CID 143866898) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 1-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrrol-2-yl]ethanone
PubChem CID143866898
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name1-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1-c1ncc(F)cc1Cl
InChIInChI=1S/C11H8ClFN2O/c1-7(16)10-3-2-4-15(10)11-9(12)5-8(13)6-14-11/h2-6H,1H3
InChIKeyZNGLVYNXZXHFCX-UHFFFAOYSA-N
XLogP2.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrrol-2-yl]ethanone?
The IUPAC name of 1-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrrol-2-yl]ethanone (CID 143866898) is 1-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrrol-2-yl]ethanone is CC(=O)c1cccn1-c1ncc(F)cc1Cl.
What is the InChIKey of 1-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrrol-2-yl]ethanone?
The InChIKey is ZNGLVYNXZXHFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c1-7(16)10-3-2-4-15(10)11-9(12)5-8(13)6-14-11/h2-6H,1H3.
What are the key properties of 1-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrrol-2-yl]ethanone?
1-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrrol-2-yl]ethanone has a molecular weight of 238.65 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-5-fluoro-2-pyridinyl)pyrrol-2-yl]ethanone is sourced from PubChem (CID 143866898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).