6-[2-(3-fluoro-5,6-dimethyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid

C17H12FN3O2 — CID 163817296

IUPAC6-[2-(3-fluoro-5,6-dimethyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cc(F)c(C#Cc2ccc3ncc(C(=O)O)n3c2)nc1C
InChIInChI=1S/C17H12FN3O2/c1-10-7-13(18)14(20-11(10)2)5-3-12-4-6-16-19-8-15(17(22)23)21(16)9-12/h4,6-9H,1-2H3,(H,22,23)
InChIKeyNSKYOUFBEGWZTQ-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.58
Rot. Bonds1

About 6-[2-(3-fluoro-5,6-dimethyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid

6-[2-(3-fluoro-5,6-dimethyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 163817296) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 6-[2-(3-fluoro-5,6-dimethyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(3-fluoro-5,6-dimethyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID163817296
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name6-[2-(3-fluoro-5,6-dimethyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cc(F)c(C#Cc2ccc3ncc(C(=O)O)n3c2)nc1C
InChIInChI=1S/C17H12FN3O2/c1-10-7-13(18)14(20-11(10)2)5-3-12-4-6-16-19-8-15(17(22)23)21(16)9-12/h4,6-9H,1-2H3,(H,22,23)
InChIKeyNSKYOUFBEGWZTQ-UHFFFAOYSA-N
XLogP2.58
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluoro-5,6-dimethyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(3-fluoro-5,6-dimethyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 163817296) is 6-[2-(3-fluoro-5,6-dimethyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(3-fluoro-5,6-dimethyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(3-fluoro-5,6-dimethyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid is Cc1cc(F)c(C#Cc2ccc3ncc(C(=O)O)n3c2)nc1C.
What is the InChIKey of 6-[2-(3-fluoro-5,6-dimethyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is NSKYOUFBEGWZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c1-10-7-13(18)14(20-11(10)2)5-3-12-4-6-16-19-8-15(17(22)23)21(16)9-12/h4,6-9H,1-2H3,(H,22,23).
What are the key properties of 6-[2-(3-fluoro-5,6-dimethyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
6-[2-(3-fluoro-5,6-dimethyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 309.30 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluoro-5,6-dimethyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 163817296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).