5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine

C14H13ClN4O — CID 167902238

IUPAC5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine
SMILESCCOc1cc(Cn2cnc3ccc(Cl)nc32)ccn1
InChIInChI=1S/C14H13ClN4O/c1-2-20-13-7-10(5-6-16-13)8-19-9-17-11-3-4-12(15)18-14(11)19/h3-7,9H,2,8H2,1H3
InChIKeyVWGRWIYWQHRZDS-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.93
Rot. Bonds4

About 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine

5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine (PubChem CID 167902238) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine
PubChem CID167902238
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine
SMILESCCOc1cc(Cn2cnc3ccc(Cl)nc32)ccn1
InChIInChI=1S/C14H13ClN4O/c1-2-20-13-7-10(5-6-16-13)8-19-9-17-11-3-4-12(15)18-14(11)19/h3-7,9H,2,8H2,1H3
InChIKeyVWGRWIYWQHRZDS-UHFFFAOYSA-N
XLogP2.93
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine (CID 167902238) is 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine is CCOc1cc(Cn2cnc3ccc(Cl)nc32)ccn1.
What is the InChIKey of 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is VWGRWIYWQHRZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-2-20-13-7-10(5-6-16-13)8-19-9-17-11-3-4-12(15)18-14(11)19/h3-7,9H,2,8H2,1H3.
What are the key properties of 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine?
5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 288.74 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 167902238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).