3-chloro-4-(difluoromethyl)-1H-pyridin-2-one

C6H4ClF2NO — CID 130095415

IUPAC3-chloro-4-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(C(F)F)c1Cl
InChIInChI=1S/C6H4ClF2NO/c7-4-3(5(8)9)1-2-10-6(4)11/h1-2,5H,(H,10,11)
InChIKeyRMWIXKAEBXAIQT-UHFFFAOYSA-N
MW179.55 g/mol
LogP1.97
Rot. Bonds1

About 3-chloro-4-(difluoromethyl)-1H-pyridin-2-one

3-chloro-4-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 130095415) has the molecular formula C6H4ClF2NO and a molecular weight of 179.55 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-(difluoromethyl)-1H-pyridin-2-one
PubChem CID130095415
Molecular FormulaC6H4ClF2NO
Molecular Weight179.55 g/mol
Exact Mass178.99
IUPAC Name3-chloro-4-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(C(F)F)c1Cl
InChIInChI=1S/C6H4ClF2NO/c7-4-3(5(8)9)1-2-10-6(4)11/h1-2,5H,(H,10,11)
InChIKeyRMWIXKAEBXAIQT-UHFFFAOYSA-N
XLogP1.97
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.55
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-chloro-4-(difluoromethyl)-1H-pyridin-2-one (CID 130095415) is 3-chloro-4-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-4-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-4-(difluoromethyl)-1H-pyridin-2-one is O=c1[nH]ccc(C(F)F)c1Cl.
What is the InChIKey of 3-chloro-4-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is RMWIXKAEBXAIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2NO/c7-4-3(5(8)9)1-2-10-6(4)11/h1-2,5H,(H,10,11).
What are the key properties of 3-chloro-4-(difluoromethyl)-1H-pyridin-2-one?
3-chloro-4-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 179.55 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130095415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).