4-[6-chloro-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]phenol

C16H16ClN3O2 — CID 655983

IUPAC4-[6-chloro-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCOCCNc1c(-c2ccc(O)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C16H16ClN3O2/c1-22-9-8-18-16-15(11-2-5-13(21)6-3-11)19-14-7-4-12(17)10-20(14)16/h2-7,10,18,21H,8-9H2,1H3
InChIKeyBYNADIAXOKOBFD-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.42
Rot. Bonds5

About 4-[6-chloro-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]phenol

4-[6-chloro-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 655983) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 4-[6-chloro-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name4-[6-chloro-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID655983
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name4-[6-chloro-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCOCCNc1c(-c2ccc(O)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C16H16ClN3O2/c1-22-9-8-18-16-15(11-2-5-13(21)6-3-11)19-14-7-4-12(17)10-20(14)16/h2-7,10,18,21H,8-9H2,1H3
InChIKeyBYNADIAXOKOBFD-UHFFFAOYSA-N
XLogP3.42
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 4-[6-chloro-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]phenol (CID 655983) is 4-[6-chloro-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 4-[6-chloro-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 4-[6-chloro-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]phenol is COCCNc1c(-c2ccc(O)cc2)nc2ccc(Cl)cn12.
What is the InChIKey of 4-[6-chloro-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is BYNADIAXOKOBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-22-9-8-18-16-15(11-2-5-13(21)6-3-11)19-14-7-4-12(17)10-20(14)16/h2-7,10,18,21H,8-9H2,1H3.
What are the key properties of 4-[6-chloro-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
4-[6-chloro-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 317.78 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-3-(2-methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 655983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).