1-[3-(difluoromethoxy)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-one

C14H10F2N2O2 — CID 169085536

IUPAC1-[3-(difluoromethoxy)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2cccnc2N1c1cccc(OC(F)F)c1
InChIInChI=1S/C14H10F2N2O2/c15-14(16)20-11-5-1-4-10(8-11)18-12(19)7-9-3-2-6-17-13(9)18/h1-6,8,14H,7H2
InChIKeyIRPJEMNBJGMGDP-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.90
Rot. Bonds3

About 1-[3-(difluoromethoxy)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-one

1-[3-(difluoromethoxy)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 169085536) has the molecular formula C14H10F2N2O2 and a molecular weight of 276.24 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID169085536
Molecular FormulaC14H10F2N2O2
Molecular Weight276.24 g/mol
Exact Mass276.07
IUPAC Name1-[3-(difluoromethoxy)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2cccnc2N1c1cccc(OC(F)F)c1
InChIInChI=1S/C14H10F2N2O2/c15-14(16)20-11-5-1-4-10(8-11)18-12(19)7-9-3-2-6-17-13(9)18/h1-6,8,14H,7H2
InChIKeyIRPJEMNBJGMGDP-UHFFFAOYSA-N
XLogP2.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 122182249
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CID 901917
CID 901917
CID 14739548
CID 14739548
CID 25176421
CID 25176421
CID 54710248
CID 54710248
CID 12445580
CID 12445580
CID 12445584
CID 12445584
CID 12445634
CID 12445634
CID 14222005
CID 14222005
CID 53162882
CID 53162882
CID 171350216
CID 171350216

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-one (CID 169085536) is 1-[3-(difluoromethoxy)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-one is O=C1Cc2cccnc2N1c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is IRPJEMNBJGMGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O2/c15-14(16)20-11-5-1-4-10(8-11)18-12(19)7-9-3-2-6-17-13(9)18/h1-6,8,14H,7H2.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-one?
1-[3-(difluoromethoxy)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 276.24 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 169085536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).