2-(3,4-difluorophenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile

C16H9F2N3O — CID 2319365

IUPAC2-(3,4-difluorophenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESCc1cccn2c(=O)c(C#N)c(-c3ccc(F)c(F)c3)nc12
InChIInChI=1S/C16H9F2N3O/c1-9-3-2-6-21-15(9)20-14(11(8-19)16(21)22)10-4-5-12(17)13(18)7-10/h2-7H,1H3
InChIKeyLPAWLPWCJTZERF-UHFFFAOYSA-N
MW297.26 g/mol
LogP2.82
Rot. Bonds1

About 2-(3,4-difluorophenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile

2-(3,4-difluorophenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile (PubChem CID 2319365) has the molecular formula C16H9F2N3O and a molecular weight of 297.26 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile
PubChem CID2319365
Molecular FormulaC16H9F2N3O
Molecular Weight297.26 g/mol
Exact Mass297.07
IUPAC Name2-(3,4-difluorophenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESCc1cccn2c(=O)c(C#N)c(-c3ccc(F)c(F)c3)nc12
InChIInChI=1S/C16H9F2N3O/c1-9-3-2-6-21-15(9)20-14(11(8-19)16(21)22)10-4-5-12(17)13(18)7-10/h2-7H,1H3
InChIKeyLPAWLPWCJTZERF-UHFFFAOYSA-N
XLogP2.82
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-(3,4-difluorophenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile (CID 2319365) is 2-(3,4-difluorophenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-(3,4-difluorophenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-(3,4-difluorophenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile is Cc1cccn2c(=O)c(C#N)c(-c3ccc(F)c(F)c3)nc12.
What is the InChIKey of 2-(3,4-difluorophenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile?
The InChIKey is LPAWLPWCJTZERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N3O/c1-9-3-2-6-21-15(9)20-14(11(8-19)16(21)22)10-4-5-12(17)13(18)7-10/h2-7H,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile?
2-(3,4-difluorophenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile has a molecular weight of 297.26 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 2319365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).