(3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C14H9FN2O — CID 11172500

IUPAC(3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1cccc(F)c1)c1c[nH]c2ncccc12
InChIInChI=1S/C14H9FN2O/c15-10-4-1-3-9(7-10)13(18)12-8-17-14-11(12)5-2-6-16-14/h1-8H,(H,16,17)
InChIKeyLRKYWHFOMSXHQX-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.93
Rot. Bonds2

About (3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

(3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 11172500) has the molecular formula C14H9FN2O and a molecular weight of 240.24 g/mol. Its IUPAC name is (3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID11172500
Molecular FormulaC14H9FN2O
Molecular Weight240.24 g/mol
Exact Mass240.07
IUPAC Name(3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1cccc(F)c1)c1c[nH]c2ncccc12
InChIInChI=1S/C14H9FN2O/c15-10-4-1-3-9(7-10)13(18)12-8-17-14-11(12)5-2-6-16-14/h1-8H,(H,16,17)
InChIKeyLRKYWHFOMSXHQX-UHFFFAOYSA-N
XLogP2.93
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 11172500) is (3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is O=C(c1cccc(F)c1)c1c[nH]c2ncccc12.
What is the InChIKey of (3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is LRKYWHFOMSXHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O/c15-10-4-1-3-9(7-10)13(18)12-8-17-14-11(12)5-2-6-16-14/h1-8H,(H,16,17).
What are the key properties of (3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 240.24 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 11172500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).