propan-2-yl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-4-carboxylate

C16H15F2NO3 — CID 99825274

IUPACpropan-2-yl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-4-carboxylate
SMILESCC(C)OC(=O)c1ccn(Cc2cc(F)cc(F)c2)c(=O)c1
InChIInChI=1S/C16H15F2NO3/c1-10(2)22-16(21)12-3-4-19(15(20)7-12)9-11-5-13(17)8-14(18)6-11/h3-8,10H,9H2,1-2H3
InChIKeyFWIVSMMMIRTMHF-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.74
Rot. Bonds4

About propan-2-yl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-4-carboxylate

propan-2-yl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-4-carboxylate (PubChem CID 99825274) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is propan-2-yl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-4-carboxylate
PubChem CID99825274
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC Namepropan-2-yl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-4-carboxylate
SMILESCC(C)OC(=O)c1ccn(Cc2cc(F)cc(F)c2)c(=O)c1
InChIInChI=1S/C16H15F2NO3/c1-10(2)22-16(21)12-3-4-19(15(20)7-12)9-11-5-13(17)8-14(18)6-11/h3-8,10H,9H2,1-2H3
InChIKeyFWIVSMMMIRTMHF-UHFFFAOYSA-N
XLogP2.74
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-4-carboxylate?
The IUPAC name of propan-2-yl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-4-carboxylate (CID 99825274) is propan-2-yl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-4-carboxylate.
What is the SMILES notation for propan-2-yl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-4-carboxylate?
The canonical SMILES for propan-2-yl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-4-carboxylate is CC(C)OC(=O)c1ccn(Cc2cc(F)cc(F)c2)c(=O)c1.
What is the InChIKey of propan-2-yl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-4-carboxylate?
The InChIKey is FWIVSMMMIRTMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-10(2)22-16(21)12-3-4-19(15(20)7-12)9-11-5-13(17)8-14(18)6-11/h3-8,10H,9H2,1-2H3.
What are the key properties of propan-2-yl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-4-carboxylate?
propan-2-yl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-4-carboxylate has a molecular weight of 307.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-4-carboxylate is sourced from PubChem (CID 99825274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).