3-chloro-5-[6-(3-fluoro-4-methoxyphenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one

C19H16ClFN2O3 — CID 69060056

IUPAC3-chloro-5-[6-(3-fluoro-4-methoxyphenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCOc1ccc(-c2cc(=O)c(-c3c(C)[nH]c(C)c(Cl)c3=O)c[nH]2)cc1F
InChIInChI=1S/C19H16ClFN2O3/c1-9-17(19(25)18(20)10(2)23-9)12-8-22-14(7-15(12)24)11-4-5-16(26-3)13(21)6-11/h4-8H,1-3H3,(H,22,24)(H,23,25)
InChIKeyVXQUSZKHBSABCU-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.82
Rot. Bonds3

About 3-chloro-5-[6-(3-fluoro-4-methoxyphenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one

3-chloro-5-[6-(3-fluoro-4-methoxyphenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 69060056) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is 3-chloro-5-[6-(3-fluoro-4-methoxyphenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-5-[6-(3-fluoro-4-methoxyphenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
PubChem CID69060056
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Name3-chloro-5-[6-(3-fluoro-4-methoxyphenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCOc1ccc(-c2cc(=O)c(-c3c(C)[nH]c(C)c(Cl)c3=O)c[nH]2)cc1F
InChIInChI=1S/C19H16ClFN2O3/c1-9-17(19(25)18(20)10(2)23-9)12-8-22-14(7-15(12)24)11-4-5-16(26-3)13(21)6-11/h4-8H,1-3H3,(H,22,24)(H,23,25)
InChIKeyVXQUSZKHBSABCU-UHFFFAOYSA-N
XLogP3.82
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-[6-(3-fluoro-4-methoxyphenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one with MolForge

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Related Compounds

3-[6-(4-butoxyphenyl)-4-oxo-1H-pyridin-3-yl]-5-chloro-2,6-dimethyl-1H-pyridin-4-one
CID 69059401
3-chloro-5-[6-[2-fluoro-4-(trifluoromethyl)phenyl]-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 11847738
3-chloro-5-[6-(2-chlorophenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 11847650
5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 53222321
3-chloro-2,6-dimethyl-5-[4-oxo-6-[4-(trifluoromethoxy)phenoxy]-1H-pyridin-3-yl]-1H-pyridin-4-one
CID 11847708
5-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82087076
5-(3-fluoro-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 82118011
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CID 66917298
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 118991494
3-chloro-5-[4-(3,5-dichlorophenoxy)phenyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44531206
2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[6-(3-fluoro-4-methoxyphenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-chloro-5-[6-(3-fluoro-4-methoxyphenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one (CID 69060056) is 3-chloro-5-[6-(3-fluoro-4-methoxyphenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-5-[6-(3-fluoro-4-methoxyphenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-5-[6-(3-fluoro-4-methoxyphenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one is COc1ccc(-c2cc(=O)c(-c3c(C)[nH]c(C)c(Cl)c3=O)c[nH]2)cc1F.
What is the InChIKey of 3-chloro-5-[6-(3-fluoro-4-methoxyphenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is VXQUSZKHBSABCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-9-17(19(25)18(20)10(2)23-9)12-8-22-14(7-15(12)24)11-4-5-16(26-3)13(21)6-11/h4-8H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3-chloro-5-[6-(3-fluoro-4-methoxyphenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one?
3-chloro-5-[6-(3-fluoro-4-methoxyphenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 374.80 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[6-(3-fluoro-4-methoxyphenyl)-4-oxo-1H-pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 69060056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).