7-(3,3-difluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one

C19H16F2N2O2 — CID 168942069

IUPAC7-(3,3-difluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
SMILESCc1ccccc1-c1cc(=O)oc2nc(N3CCC(F)(F)C3)ccc12
InChIInChI=1S/C19H16F2N2O2/c1-12-4-2-3-5-13(12)15-10-17(24)25-18-14(15)6-7-16(22-18)23-9-8-19(20,21)11-23/h2-7,10H,8-9,11H2,1H3
InChIKeyOCKZQFKBYWFYTK-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.01
Rot. Bonds2

About 7-(3,3-difluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one

7-(3,3-difluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one (PubChem CID 168942069) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is 7-(3,3-difluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name7-(3,3-difluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
PubChem CID168942069
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name7-(3,3-difluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
SMILESCc1ccccc1-c1cc(=O)oc2nc(N3CCC(F)(F)C3)ccc12
InChIInChI=1S/C19H16F2N2O2/c1-12-4-2-3-5-13(12)15-10-17(24)25-18-14(15)6-7-16(22-18)23-9-8-19(20,21)11-23/h2-7,10H,8-9,11H2,1H3
InChIKeyOCKZQFKBYWFYTK-UHFFFAOYSA-N
XLogP4.01
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,3-difluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 7-(3,3-difluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one (CID 168942069) is 7-(3,3-difluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 7-(3,3-difluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 7-(3,3-difluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one is Cc1ccccc1-c1cc(=O)oc2nc(N3CCC(F)(F)C3)ccc12.
What is the InChIKey of 7-(3,3-difluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
The InChIKey is OCKZQFKBYWFYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c1-12-4-2-3-5-13(12)15-10-17(24)25-18-14(15)6-7-16(22-18)23-9-8-19(20,21)11-23/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 7-(3,3-difluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one?
7-(3,3-difluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one has a molecular weight of 342.35 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-difluoropyrrolidin-1-yl)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 168942069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).