7-(2-fluoroethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C14H14FN3O — CID 25190890

IUPAC7-(2-fluoroethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCC(CCF)c2[nH]c(-c3ccncc3)cc21
InChIInChI=1S/C14H14FN3O/c15-4-1-10-8-17-14(19)11-7-12(18-13(10)11)9-2-5-16-6-3-9/h2-3,5-7,10,18H,1,4,8H2,(H,17,19)
InChIKeyYWWLCXXTNFGQBR-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.26
Rot. Bonds3

About 7-(2-fluoroethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

7-(2-fluoroethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 25190890) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 7-(2-fluoroethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-(2-fluoroethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID25190890
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name7-(2-fluoroethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCC(CCF)c2[nH]c(-c3ccncc3)cc21
InChIInChI=1S/C14H14FN3O/c15-4-1-10-8-17-14(19)11-7-12(18-13(10)11)9-2-5-16-6-3-9/h2-3,5-7,10,18H,1,4,8H2,(H,17,19)
InChIKeyYWWLCXXTNFGQBR-UHFFFAOYSA-N
XLogP2.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoroethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 7-(2-fluoroethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 25190890) is 7-(2-fluoroethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-(2-fluoroethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 7-(2-fluoroethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCC(CCF)c2[nH]c(-c3ccncc3)cc21.
What is the InChIKey of 7-(2-fluoroethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is YWWLCXXTNFGQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-4-1-10-8-17-14(19)11-7-12(18-13(10)11)9-2-5-16-6-3-9/h2-3,5-7,10,18H,1,4,8H2,(H,17,19).
What are the key properties of 7-(2-fluoroethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
7-(2-fluoroethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 259.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoroethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 25190890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).