4-(3-chloro-2,6-difluorophenyl)-2,3-dihydro-1H-pyridin-6-one

C11H8ClF2NO — CID 118286065

IUPAC4-(3-chloro-2,6-difluorophenyl)-2,3-dihydro-1H-pyridin-6-one
SMILESO=C1C=C(c2c(F)ccc(Cl)c2F)CCN1
InChIInChI=1S/C11H8ClF2NO/c12-7-1-2-8(13)10(11(7)14)6-3-4-15-9(16)5-6/h1-2,5H,3-4H2,(H,15,16)
InChIKeyIUDWDIUUHXLWQD-UHFFFAOYSA-N
MW243.64 g/mol
LogP2.52
Rot. Bonds1

About 4-(3-chloro-2,6-difluorophenyl)-2,3-dihydro-1H-pyridin-6-one

4-(3-chloro-2,6-difluorophenyl)-2,3-dihydro-1H-pyridin-6-one (PubChem CID 118286065) has the molecular formula C11H8ClF2NO and a molecular weight of 243.64 g/mol. Its IUPAC name is 4-(3-chloro-2,6-difluorophenyl)-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name4-(3-chloro-2,6-difluorophenyl)-2,3-dihydro-1H-pyridin-6-one
PubChem CID118286065
Molecular FormulaC11H8ClF2NO
Molecular Weight243.64 g/mol
Exact Mass243.03
IUPAC Name4-(3-chloro-2,6-difluorophenyl)-2,3-dihydro-1H-pyridin-6-one
SMILESO=C1C=C(c2c(F)ccc(Cl)c2F)CCN1
InChIInChI=1S/C11H8ClF2NO/c12-7-1-2-8(13)10(11(7)14)6-3-4-15-9(16)5-6/h1-2,5H,3-4H2,(H,15,16)
InChIKeyIUDWDIUUHXLWQD-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.64
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2,6-difluorophenyl)-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 4-(3-chloro-2,6-difluorophenyl)-2,3-dihydro-1H-pyridin-6-one (CID 118286065) is 4-(3-chloro-2,6-difluorophenyl)-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 4-(3-chloro-2,6-difluorophenyl)-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 4-(3-chloro-2,6-difluorophenyl)-2,3-dihydro-1H-pyridin-6-one is O=C1C=C(c2c(F)ccc(Cl)c2F)CCN1.
What is the InChIKey of 4-(3-chloro-2,6-difluorophenyl)-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is IUDWDIUUHXLWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2NO/c12-7-1-2-8(13)10(11(7)14)6-3-4-15-9(16)5-6/h1-2,5H,3-4H2,(H,15,16).
What are the key properties of 4-(3-chloro-2,6-difluorophenyl)-2,3-dihydro-1H-pyridin-6-one?
4-(3-chloro-2,6-difluorophenyl)-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 243.64 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2,6-difluorophenyl)-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 118286065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).