4,6-difluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one

C9H11F2NO — CID 122543522

IUPAC4,6-difluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one
SMILESCc1c(F)c(C(C)C)c(F)[nH]c1=O
InChIInChI=1S/C9H11F2NO/c1-4(2)6-7(10)5(3)9(13)12-8(6)11/h4H,1-3H3,(H,12,13)
InChIKeyGEDUJEHFZAHBFZ-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.08
Rot. Bonds1

About 4,6-difluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one

4,6-difluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one (PubChem CID 122543522) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 4,6-difluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-difluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one
PubChem CID122543522
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name4,6-difluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one
SMILESCc1c(F)c(C(C)C)c(F)[nH]c1=O
InChIInChI=1S/C9H11F2NO/c1-4(2)6-7(10)5(3)9(13)12-8(6)11/h4H,1-3H3,(H,12,13)
InChIKeyGEDUJEHFZAHBFZ-UHFFFAOYSA-N
XLogP2.08
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 122543517
CID 122543517
CID 122543520
CID 122543520
CID 122543536
CID 122543536
CID 122543538
CID 122543538
CID 122543540
CID 122543540
CID 122544858
CID 122544858
CID 123507957
CID 123507957
CID 123578250
CID 123578250
CID 144823805
CID 144823805

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 4,6-difluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one (CID 122543522) is 4,6-difluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4,6-difluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4,6-difluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one is Cc1c(F)c(C(C)C)c(F)[nH]c1=O.
What is the InChIKey of 4,6-difluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one?
The InChIKey is GEDUJEHFZAHBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-4(2)6-7(10)5(3)9(13)12-8(6)11/h4H,1-3H3,(H,12,13).
What are the key properties of 4,6-difluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one?
4,6-difluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one has a molecular weight of 187.19 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 122543522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).