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

C14H11FN4O2 — CID 11514746

IUPAC5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1NCc1ccnc2[nH]ccc12
InChIInChI=1S/C14H11FN4O2/c15-9-5-11(14(20)21)13(19-7-9)18-6-8-1-3-16-12-10(8)2-4-17-12/h1-5,7H,6H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyQSIFNOZETGFGEI-UHFFFAOYSA-N
MW286.27 g/mol
LogP2.41
Rot. Bonds4

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

5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid (PubChem CID 11514746) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
PubChem CID11514746
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1NCc1ccnc2[nH]ccc12
InChIInChI=1S/C14H11FN4O2/c15-9-5-11(14(20)21)13(19-7-9)18-6-8-1-3-16-12-10(8)2-4-17-12/h1-5,7H,6H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyQSIFNOZETGFGEI-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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid (CID 11514746) is 5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid is O=C(O)c1cc(F)cnc1NCc1ccnc2[nH]ccc12.
What is the InChIKey of 5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid?
The InChIKey is QSIFNOZETGFGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c15-9-5-11(14(20)21)13(19-7-9)18-6-8-1-3-16-12-10(8)2-4-17-12/h1-5,7H,6H2,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid?
5-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 5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 11514746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).