3-[(2-chloro-6-fluorophenyl)methyl]-1-cycloheptyl-4-hydroxypyridin-2-one

C19H21ClFNO2 — CID 54693099

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-1-cycloheptyl-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2c(F)cccc2Cl)c(O)ccn1C1CCCCCC1
InChIInChI=1S/C19H21ClFNO2/c20-16-8-5-9-17(21)14(16)12-15-18(23)10-11-22(19(15)24)13-6-3-1-2-4-7-13/h5,8-11,13,23H,1-4,6-7,12H2
InChIKeyQRGPXPOQTCSCEF-UHFFFAOYSA-N
MW349.83 g/mol
LogP4.83
Rot. Bonds3

About 3-[(2-chloro-6-fluorophenyl)methyl]-1-cycloheptyl-4-hydroxypyridin-2-one

3-[(2-chloro-6-fluorophenyl)methyl]-1-cycloheptyl-4-hydroxypyridin-2-one (PubChem CID 54693099) has the molecular formula C19H21ClFNO2 and a molecular weight of 349.83 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-1-cycloheptyl-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-1-cycloheptyl-4-hydroxypyridin-2-one
PubChem CID54693099
Molecular FormulaC19H21ClFNO2
Molecular Weight349.83 g/mol
Exact Mass349.12
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-1-cycloheptyl-4-hydroxypyridin-2-one
SMILESO=c1c(Cc2c(F)cccc2Cl)c(O)ccn1C1CCCCCC1
InChIInChI=1S/C19H21ClFNO2/c20-16-8-5-9-17(21)14(16)12-15-18(23)10-11-22(19(15)24)13-6-3-1-2-4-7-13/h5,8-11,13,23H,1-4,6-7,12H2
InChIKeyQRGPXPOQTCSCEF-UHFFFAOYSA-N
XLogP4.83
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-1-cycloheptyl-4-hydroxypyridin-2-one?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-1-cycloheptyl-4-hydroxypyridin-2-one (CID 54693099) is 3-[(2-chloro-6-fluorophenyl)methyl]-1-cycloheptyl-4-hydroxypyridin-2-one.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-1-cycloheptyl-4-hydroxypyridin-2-one?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-1-cycloheptyl-4-hydroxypyridin-2-one is O=c1c(Cc2c(F)cccc2Cl)c(O)ccn1C1CCCCCC1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-1-cycloheptyl-4-hydroxypyridin-2-one?
The InChIKey is QRGPXPOQTCSCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO2/c20-16-8-5-9-17(21)14(16)12-15-18(23)10-11-22(19(15)24)13-6-3-1-2-4-7-13/h5,8-11,13,23H,1-4,6-7,12H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-1-cycloheptyl-4-hydroxypyridin-2-one?
3-[(2-chloro-6-fluorophenyl)methyl]-1-cycloheptyl-4-hydroxypyridin-2-one has a molecular weight of 349.83 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]-1-cycloheptyl-4-hydroxypyridin-2-one is sourced from PubChem (CID 54693099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).