3-chloro-5-(2-chloro-5-fluoro-3-methylphenyl)-1H-pyridin-2-one

C12H8Cl2FNO — CID 168935010

IUPAC3-chloro-5-(2-chloro-5-fluoro-3-methylphenyl)-1H-pyridin-2-one
SMILESCc1cc(F)cc(-c2c[nH]c(=O)c(Cl)c2)c1Cl
InChIInChI=1S/C12H8Cl2FNO/c1-6-2-8(15)4-9(11(6)14)7-3-10(13)12(17)16-5-7/h2-5H,1H3,(H,16,17)
InChIKeyPCHFOAJCXVJZET-UHFFFAOYSA-N
MW272.11 g/mol
LogP3.80
Rot. Bonds1

About 3-chloro-5-(2-chloro-5-fluoro-3-methylphenyl)-1H-pyridin-2-one

3-chloro-5-(2-chloro-5-fluoro-3-methylphenyl)-1H-pyridin-2-one (PubChem CID 168935010) has the molecular formula C12H8Cl2FNO and a molecular weight of 272.11 g/mol. Its IUPAC name is 3-chloro-5-(2-chloro-5-fluoro-3-methylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(2-chloro-5-fluoro-3-methylphenyl)-1H-pyridin-2-one
PubChem CID168935010
Molecular FormulaC12H8Cl2FNO
Molecular Weight272.11 g/mol
Exact Mass271.00
IUPAC Name3-chloro-5-(2-chloro-5-fluoro-3-methylphenyl)-1H-pyridin-2-one
SMILESCc1cc(F)cc(-c2c[nH]c(=O)c(Cl)c2)c1Cl
InChIInChI=1S/C12H8Cl2FNO/c1-6-2-8(15)4-9(11(6)14)7-3-10(13)12(17)16-5-7/h2-5H,1H3,(H,16,17)
InChIKeyPCHFOAJCXVJZET-UHFFFAOYSA-N
XLogP3.80
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dichloro-4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 88670619
3-chloro-4-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one
CID 88670929
5-(3-fluoro-5-methylphenyl)-1H-pyridin-2-one
CID 175857682
3-chloro-5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one
CID 176639887
5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one
CID 176639899
3-(2-chloro-6-fluorophenyl)-N-ethylprop-2-enamide
CID 3523544
(E)-3-(2-chloro-6-fluorophenyl)-N-ethylprop-2-enamide
CID 5850993
3-Chloro-5-(2-fluorophenyl)pyridin-2-ol
CID 46311958
3-chloro-5-(3-fluorophenyl)-1H-pyridin-2-one
CID 46311959
3-Chloro-5-(4-fluorophenyl)pyridin-2-ol
CID 46311960
5-(2-Fluoro-5-methylphenyl)pyridin-2(1H)-one
CID 53217598
5-(4-Fluoro-3-methylphenyl)-2-hydroxypyridine
CID 53217616

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-chloro-5-fluoro-3-methylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(2-chloro-5-fluoro-3-methylphenyl)-1H-pyridin-2-one (CID 168935010) is 3-chloro-5-(2-chloro-5-fluoro-3-methylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(2-chloro-5-fluoro-3-methylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(2-chloro-5-fluoro-3-methylphenyl)-1H-pyridin-2-one is Cc1cc(F)cc(-c2c[nH]c(=O)c(Cl)c2)c1Cl.
What is the InChIKey of 3-chloro-5-(2-chloro-5-fluoro-3-methylphenyl)-1H-pyridin-2-one?
The InChIKey is PCHFOAJCXVJZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNO/c1-6-2-8(15)4-9(11(6)14)7-3-10(13)12(17)16-5-7/h2-5H,1H3,(H,16,17).
What are the key properties of 3-chloro-5-(2-chloro-5-fluoro-3-methylphenyl)-1H-pyridin-2-one?
3-chloro-5-(2-chloro-5-fluoro-3-methylphenyl)-1H-pyridin-2-one has a molecular weight of 272.11 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-chloro-5-fluoro-3-methylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 168935010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).