6-chloro-1-methyl-4-(oxan-4-yl)imidazo[4,5-c]pyridine

C12H14ClN3O — CID 163273561

IUPAC6-chloro-1-methyl-4-(oxan-4-yl)imidazo[4,5-c]pyridine
SMILESCn1cnc2c(C3CCOCC3)nc(Cl)cc21
InChIInChI=1S/C12H14ClN3O/c1-16-7-14-12-9(16)6-10(13)15-11(12)8-2-4-17-5-3-8/h6-8H,2-5H2,1H3
InChIKeyFOSXPAZSROMIOW-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.52
Rot. Bonds1

About 6-chloro-1-methyl-4-(oxan-4-yl)imidazo[4,5-c]pyridine

6-chloro-1-methyl-4-(oxan-4-yl)imidazo[4,5-c]pyridine (PubChem CID 163273561) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-chloro-1-methyl-4-(oxan-4-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-chloro-1-methyl-4-(oxan-4-yl)imidazo[4,5-c]pyridine
PubChem CID163273561
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name6-chloro-1-methyl-4-(oxan-4-yl)imidazo[4,5-c]pyridine
SMILESCn1cnc2c(C3CCOCC3)nc(Cl)cc21
InChIInChI=1S/C12H14ClN3O/c1-16-7-14-12-9(16)6-10(13)15-11(12)8-2-4-17-5-3-8/h6-8H,2-5H2,1H3
InChIKeyFOSXPAZSROMIOW-UHFFFAOYSA-N
XLogP2.52
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.52
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 6-chloro-1-methyl-4-(oxan-4-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 6-chloro-1-methyl-4-(oxan-4-yl)imidazo[4,5-c]pyridine (CID 163273561) is 6-chloro-1-methyl-4-(oxan-4-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-chloro-1-methyl-4-(oxan-4-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 6-chloro-1-methyl-4-(oxan-4-yl)imidazo[4,5-c]pyridine is Cn1cnc2c(C3CCOCC3)nc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methyl-4-(oxan-4-yl)imidazo[4,5-c]pyridine?
The InChIKey is FOSXPAZSROMIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-16-7-14-12-9(16)6-10(13)15-11(12)8-2-4-17-5-3-8/h6-8H,2-5H2,1H3.
What are the key properties of 6-chloro-1-methyl-4-(oxan-4-yl)imidazo[4,5-c]pyridine?
6-chloro-1-methyl-4-(oxan-4-yl)imidazo[4,5-c]pyridine has a molecular weight of 251.72 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-4-(oxan-4-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 163273561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).