2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carboxylic acid

C12H11ClN4O2 — CID 63024771

IUPAC2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(N2CCn3ccnc3C2)c1
InChIInChI=1S/C12H11ClN4O2/c13-9-5-8(12(18)19)6-10(15-9)17-4-3-16-2-1-14-11(16)7-17/h1-2,5-6H,3-4,7H2,(H,18,19)
InChIKeyVNVOWNDAWDFDNT-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.65
Rot. Bonds2

About 2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carboxylic acid

2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carboxylic acid (PubChem CID 63024771) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carboxylic acid
PubChem CID63024771
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(N2CCn3ccnc3C2)c1
InChIInChI=1S/C12H11ClN4O2/c13-9-5-8(12(18)19)6-10(15-9)17-4-3-16-2-1-14-11(16)7-17/h1-2,5-6H,3-4,7H2,(H,18,19)
InChIKeyVNVOWNDAWDFDNT-UHFFFAOYSA-N
XLogP1.65
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carboxylic acid (CID 63024771) is 2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(N2CCn3ccnc3C2)c1.
What is the InChIKey of 2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carboxylic acid?
The InChIKey is VNVOWNDAWDFDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c13-9-5-8(12(18)19)6-10(15-9)17-4-3-16-2-1-14-11(16)7-17/h1-2,5-6H,3-4,7H2,(H,18,19).
What are the key properties of 2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carboxylic acid?
2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carboxylic acid has a molecular weight of 278.70 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 63024771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).