2-[5-(difluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5-carboxylic acid

C13H8F2N4O2 — CID 167941496

IUPAC2-[5-(difluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(-c3ccc(C(F)F)cn3)nc2n1
InChIInChI=1S/C13H8F2N4O2/c14-10(15)6-1-2-7(16-5-6)11-17-8-3-4-9(13(20)21)18-12(8)19-11/h1-5,10H,(H,20,21)(H,17,18,19)
InChIKeyFFGYNXVBSOJWRI-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.66
Rot. Bonds3

About 2-[5-(difluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5-carboxylic acid

2-[5-(difluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 167941496) has the molecular formula C13H8F2N4O2 and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
PubChem CID167941496
Molecular FormulaC13H8F2N4O2
Molecular Weight290.23 g/mol
Exact Mass290.06
IUPAC Name2-[5-(difluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(-c3ccc(C(F)F)cn3)nc2n1
InChIInChI=1S/C13H8F2N4O2/c14-10(15)6-1-2-7(16-5-6)11-17-8-3-4-9(13(20)21)18-12(8)19-11/h1-5,10H,(H,20,21)(H,17,18,19)
InChIKeyFFGYNXVBSOJWRI-UHFFFAOYSA-N
XLogP2.66
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-[5-(difluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5-carboxylic acid (CID 167941496) is 2-[5-(difluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-[5-(difluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-[5-(difluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5-carboxylic acid is O=C(O)c1ccc2[nH]c(-c3ccc(C(F)F)cn3)nc2n1.
What is the InChIKey of 2-[5-(difluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is FFGYNXVBSOJWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4O2/c14-10(15)6-1-2-7(16-5-6)11-17-8-3-4-9(13(20)21)18-12(8)19-11/h1-5,10H,(H,20,21)(H,17,18,19).
What are the key properties of 2-[5-(difluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
2-[5-(difluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 290.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 167941496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).