6-[2-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid

C18H11FN4O2 — CID 137355910

IUPAC6-[2-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc3[nH]c(-c4ccc(F)nc4)cc3c2)n1
InChIInChI=1S/C18H11FN4O2/c19-16-5-4-10(8-20-16)15-7-11-6-12(9-21-17(11)23-15)13-2-1-3-14(22-13)18(24)25/h1-9H,(H,21,23)(H,24,25)
InChIKeyIGPLAXVZYSUVHI-UHFFFAOYSA-N
MW334.31 g/mol
LogP3.52
Rot. Bonds3

About 6-[2-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid

6-[2-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid (PubChem CID 137355910) has the molecular formula C18H11FN4O2 and a molecular weight of 334.31 g/mol. Its IUPAC name is 6-[2-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid
PubChem CID137355910
Molecular FormulaC18H11FN4O2
Molecular Weight334.31 g/mol
Exact Mass334.09
IUPAC Name6-[2-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc3[nH]c(-c4ccc(F)nc4)cc3c2)n1
InChIInChI=1S/C18H11FN4O2/c19-16-5-4-10(8-20-16)15-7-11-6-12(9-21-17(11)23-15)13-2-1-3-14(22-13)18(24)25/h1-9H,(H,21,23)(H,24,25)
InChIKeyIGPLAXVZYSUVHI-UHFFFAOYSA-N
XLogP3.52
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid (CID 137355910) is 6-[2-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2cnc3[nH]c(-c4ccc(F)nc4)cc3c2)n1.
What is the InChIKey of 6-[2-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid?
The InChIKey is IGPLAXVZYSUVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN4O2/c19-16-5-4-10(8-20-16)15-7-11-6-12(9-21-17(11)23-15)13-2-1-3-14(22-13)18(24)25/h1-9H,(H,21,23)(H,24,25).
What are the key properties of 6-[2-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid?
6-[2-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid has a molecular weight of 334.31 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-fluoro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 137355910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).