5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine

C12H14ClN3O — CID 171838815

IUPAC5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine
SMILESCc1nc2ccc(Cl)nc2n1C[C@H]1CCOC1
InChIInChI=1S/C12H14ClN3O/c1-8-14-10-2-3-11(13)15-12(10)16(8)6-9-4-5-17-7-9/h2-3,9H,4-7H2,1H3/t9-/m1/s1
InChIKeyXVQQZNQRAKWHEC-SECBINFHSA-N
MW251.72 g/mol
LogP2.43
Rot. Bonds2

About 5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine

5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 171838815) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID171838815
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine
SMILESCc1nc2ccc(Cl)nc2n1C[C@H]1CCOC1
InChIInChI=1S/C12H14ClN3O/c1-8-14-10-2-3-11(13)15-12(10)16(8)6-9-4-5-17-7-9/h2-3,9H,4-7H2,1H3/t9-/m1/s1
InChIKeyXVQQZNQRAKWHEC-SECBINFHSA-N
XLogP2.43
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine (CID 171838815) is 5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine is Cc1nc2ccc(Cl)nc2n1C[C@H]1CCOC1.
What is the InChIKey of 5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is XVQQZNQRAKWHEC-SECBINFHSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-8-14-10-2-3-11(13)15-12(10)16(8)6-9-4-5-17-7-9/h2-3,9H,4-7H2,1H3/t9-/m1/s1.
What are the key properties of 5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine?
5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 251.72 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-[[(3R)-oxolan-3-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 171838815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).