5-fluoro-1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid

C14H10FN3O2 — CID 66646500

IUPAC5-fluoro-1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc(F)cnc2n1Cc1ccncc1
InChIInChI=1S/C14H10FN3O2/c15-11-5-10-6-12(14(19)20)18(13(10)17-7-11)8-9-1-3-16-4-2-9/h1-7H,8H2,(H,19,20)
InChIKeyUGTRWYJICMBCAH-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.32
Rot. Bonds3

About 5-fluoro-1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid

5-fluoro-1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 66646500) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 5-fluoro-1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID66646500
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name5-fluoro-1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc(F)cnc2n1Cc1ccncc1
InChIInChI=1S/C14H10FN3O2/c15-11-5-10-6-12(14(19)20)18(13(10)17-7-11)8-9-1-3-16-4-2-9/h1-7H,8H2,(H,19,20)
InChIKeyUGTRWYJICMBCAH-UHFFFAOYSA-N
XLogP2.32
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-fluoro-1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 66646500) is 5-fluoro-1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-fluoro-1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2cc(F)cnc2n1Cc1ccncc1.
What is the InChIKey of 5-fluoro-1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is UGTRWYJICMBCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-11-5-10-6-12(14(19)20)18(13(10)17-7-11)8-9-1-3-16-4-2-9/h1-7H,8H2,(H,19,20).
What are the key properties of 5-fluoro-1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid?
5-fluoro-1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(pyridin-4-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 66646500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).