6-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid

C14H11FN4O2 — CID 69274400

IUPAC6-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(F)nc1NCc1ccnc2[nH]ccc12
InChIInChI=1S/C14H11FN4O2/c15-11-2-1-10(14(20)21)13(19-11)18-7-8-3-5-16-12-9(8)4-6-17-12/h1-6H,7H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyPJULOEWTDMXBQW-UHFFFAOYSA-N
MW286.27 g/mol
LogP2.41
Rot. Bonds4

About 6-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid

6-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid (PubChem CID 69274400) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 6-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
PubChem CID69274400
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name6-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(F)nc1NCc1ccnc2[nH]ccc12
InChIInChI=1S/C14H11FN4O2/c15-11-2-1-10(14(20)21)13(19-11)18-7-8-3-5-16-12-9(8)4-6-17-12/h1-6H,7H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyPJULOEWTDMXBQW-UHFFFAOYSA-N
XLogP2.41
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 52.41
H-Bond Donors ≤ 53
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-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid (CID 69274400) is 6-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid is O=C(O)c1ccc(F)nc1NCc1ccnc2[nH]ccc12.
What is the InChIKey of 6-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid?
The InChIKey is PJULOEWTDMXBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c15-11-2-1-10(14(20)21)13(19-11)18-7-8-3-5-16-12-9(8)4-6-17-12/h1-6H,7H2,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 6-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid?
6-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid has a molecular weight of 286.27 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 69274400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).