3-bromo-1-(cyclopropylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one

C16H15BrFNO2 — CID 22050216

IUPAC3-bromo-1-(cyclopropylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2)ccn1CC1CC1
InChIInChI=1S/C16H15BrFNO2/c17-15-14(21-10-12-3-5-13(18)6-4-12)7-8-19(16(15)20)9-11-1-2-11/h3-8,11H,1-2,9-10H2
InChIKeyPLYAJTJMNHCVCT-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.74
Rot. Bonds5

About 3-bromo-1-(cyclopropylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one

3-bromo-1-(cyclopropylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one (PubChem CID 22050216) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 3-bromo-1-(cyclopropylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(cyclopropylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
PubChem CID22050216
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name3-bromo-1-(cyclopropylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2)ccn1CC1CC1
InChIInChI=1S/C16H15BrFNO2/c17-15-14(21-10-12-3-5-13(18)6-4-12)7-8-19(16(15)20)9-11-1-2-11/h3-8,11H,1-2,9-10H2
InChIKeyPLYAJTJMNHCVCT-UHFFFAOYSA-N
XLogP3.74
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(cyclopropylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The IUPAC name of 3-bromo-1-(cyclopropylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one (CID 22050216) is 3-bromo-1-(cyclopropylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(cyclopropylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The canonical SMILES for 3-bromo-1-(cyclopropylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one is O=c1c(Br)c(OCc2ccc(F)cc2)ccn1CC1CC1.
What is the InChIKey of 3-bromo-1-(cyclopropylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The InChIKey is PLYAJTJMNHCVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c17-15-14(21-10-12-3-5-13(18)6-4-12)7-8-19(16(15)20)9-11-1-2-11/h3-8,11H,1-2,9-10H2.
What are the key properties of 3-bromo-1-(cyclopropylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
3-bromo-1-(cyclopropylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one has a molecular weight of 352.20 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(cyclopropylmethyl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 22050216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).