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

C19H15ClF2N2O2 — CID 44529106

IUPAC3-chloro-5-[6-[(3,5-difluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(OCc3cc(F)cc(F)c3)nc2)c(=O)c1Cl
InChIInChI=1S/C19H15ClF2N2O2/c1-10-17(19(25)18(20)11(2)24-10)13-3-4-16(23-8-13)26-9-12-5-14(21)7-15(22)6-12/h3-8H,9H2,1-2H3,(H,24,25)
InChIKeyARAPYZAHCWUISR-UHFFFAOYSA-N
MW376.79 g/mol
LogP4.56
Rot. Bonds4

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

3-chloro-5-[6-[(3,5-difluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 44529106) has the molecular formula C19H15ClF2N2O2 and a molecular weight of 376.79 g/mol. Its IUPAC name is 3-chloro-5-[6-[(3,5-difluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-5-[6-[(3,5-difluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
PubChem CID44529106
Molecular FormulaC19H15ClF2N2O2
Molecular Weight376.79 g/mol
Exact Mass376.08
IUPAC Name3-chloro-5-[6-[(3,5-difluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(OCc3cc(F)cc(F)c3)nc2)c(=O)c1Cl
InChIInChI=1S/C19H15ClF2N2O2/c1-10-17(19(25)18(20)11(2)24-10)13-3-4-16(23-8-13)26-9-12-5-14(21)7-15(22)6-12/h3-8H,9H2,1-2H3,(H,24,25)
InChIKeyARAPYZAHCWUISR-UHFFFAOYSA-N
XLogP4.56
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.79
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[6-[(3,5-difluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-chloro-5-[6-[(3,5-difluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one (CID 44529106) is 3-chloro-5-[6-[(3,5-difluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-5-[6-[(3,5-difluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-5-[6-[(3,5-difluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one is Cc1[nH]c(C)c(-c2ccc(OCc3cc(F)cc(F)c3)nc2)c(=O)c1Cl.
What is the InChIKey of 3-chloro-5-[6-[(3,5-difluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is ARAPYZAHCWUISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O2/c1-10-17(19(25)18(20)11(2)24-10)13-3-4-16(23-8-13)26-9-12-5-14(21)7-15(22)6-12/h3-8H,9H2,1-2H3,(H,24,25).
What are the key properties of 3-chloro-5-[6-[(3,5-difluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one?
3-chloro-5-[6-[(3,5-difluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 376.79 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[6-[(3,5-difluorophenyl)methoxy]-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 44529106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).