1-[(2-fluorophenyl)methyl]-6H-pyrrolo[2,3-c]pyridin-7-one

C14H11FN2O — CID 50989421

IUPAC1-[(2-fluorophenyl)methyl]-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESO=c1[nH]ccc2ccn(Cc3ccccc3F)c12
InChIInChI=1S/C14H11FN2O/c15-12-4-2-1-3-11(12)9-17-8-6-10-5-7-16-14(18)13(10)17/h1-8H,9H2,(H,16,18)
InChIKeyZIJSPBXTNIJWBN-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.52
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]-6H-pyrrolo[2,3-c]pyridin-7-one

1-[(2-fluorophenyl)methyl]-6H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 50989421) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-6H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-6H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID50989421
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name1-[(2-fluorophenyl)methyl]-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESO=c1[nH]ccc2ccn(Cc3ccccc3F)c12
InChIInChI=1S/C14H11FN2O/c15-12-4-2-1-3-11(12)9-17-8-6-10-5-7-16-14(18)13(10)17/h1-8H,9H2,(H,16,18)
InChIKeyZIJSPBXTNIJWBN-UHFFFAOYSA-N
XLogP2.52
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-6H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-6H-pyrrolo[2,3-c]pyridin-7-one (CID 50989421) is 1-[(2-fluorophenyl)methyl]-6H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-6H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-6H-pyrrolo[2,3-c]pyridin-7-one is O=c1[nH]ccc2ccn(Cc3ccccc3F)c12.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-6H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is ZIJSPBXTNIJWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-12-4-2-1-3-11(12)9-17-8-6-10-5-7-16-14(18)13(10)17/h1-8H,9H2,(H,16,18).
What are the key properties of 1-[(2-fluorophenyl)methyl]-6H-pyrrolo[2,3-c]pyridin-7-one?
1-[(2-fluorophenyl)methyl]-6H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 242.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-6H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 50989421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).