3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one

C18H14ClFN2O — CID 44529366

IUPAC3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(-c3ccccc3F)nc2)c(=O)c1Cl
InChIInChI=1S/C18H14ClFN2O/c1-10-16(18(23)17(19)11(2)22-10)12-7-8-15(21-9-12)13-5-3-4-6-14(13)20/h3-9H,1-2H3,(H,22,23)
InChIKeyBSEVEQUYICLZPZ-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.51
Rot. Bonds2

About 3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one

3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 44529366) has the molecular formula C18H14ClFN2O and a molecular weight of 328.77 g/mol. Its IUPAC name is 3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
PubChem CID44529366
Molecular FormulaC18H14ClFN2O
Molecular Weight328.77 g/mol
Exact Mass328.08
IUPAC Name3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(-c3ccccc3F)nc2)c(=O)c1Cl
InChIInChI=1S/C18H14ClFN2O/c1-10-16(18(23)17(19)11(2)22-10)12-7-8-15(21-9-12)13-5-3-4-6-14(13)20/h3-9H,1-2H3,(H,22,23)
InChIKeyBSEVEQUYICLZPZ-UHFFFAOYSA-N
XLogP4.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Fluorophenyl)[6-(4-fluorophenyl)-3-pyridinyl]methanone
CID 1485789
3-chloro-5-[6-[4-(difluoromethyl)phenyl]pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 44523869
3-bromo-5-[6-(4-butylphenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one;hydrochloride
CID 44529117
3-chloro-5-(6-heptyl-3-pyridinyl)-2,6-dimethyl-1H-pyridin-4-one
CID 44529243
3-bromo-2,6-dimethyl-5-[6-[2-(trifluoromethyl)phenyl]pyridin-3-yl]-1H-pyridin-4-one
CID 44529320
3-bromo-2,6-dimethyl-5-[6-[3-(trifluoromethyl)phenyl]pyridin-3-yl]-1H-pyridin-4-one
CID 44529351
3-bromo-5-[6-(4-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44529364
3-bromo-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44529365
3-[6-[2,4-bis(trifluoromethyl)phenyl]pyridin-3-yl]-5-bromo-2,6-dimethyl-1H-pyridin-4-one
CID 44529497
3-chloro-2,6-dimethyl-5-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-3-yl]-1H-pyridin-4-one
CID 44529498
3-[6-[3,5-bis(trifluoromethyl)phenyl]pyridin-3-yl]-5-bromo-2,6-dimethyl-1H-pyridin-4-one
CID 44529499
3-chloro-2,6-dimethyl-5-[6-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridin-3-yl]-1H-pyridin-4-one
CID 44529546

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one (CID 44529366) is 3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one is Cc1[nH]c(C)c(-c2ccc(-c3ccccc3F)nc2)c(=O)c1Cl.
What is the InChIKey of 3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is BSEVEQUYICLZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O/c1-10-16(18(23)17(19)11(2)22-10)12-7-8-15(21-9-12)13-5-3-4-6-14(13)20/h3-9H,1-2H3,(H,22,23).
What are the key properties of 3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 328.77 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 44529366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).