6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine

C13H16ClN3O2 — CID 129271140

IUPAC6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine
SMILESCC(OC1CCCCO1)c1nc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C13H16ClN3O2/c1-8(19-12-4-2-3-5-18-12)13-16-9-6-11(14)15-7-10(9)17-13/h6-8,12H,2-5H2,1H3,(H,16,17)
InChIKeyBADQNCZKAYVOIG-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.22
Rot. Bonds3

About 6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine

6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine (PubChem CID 129271140) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine
PubChem CID129271140
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine
SMILESCC(OC1CCCCO1)c1nc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C13H16ClN3O2/c1-8(19-12-4-2-3-5-18-12)13-16-9-6-11(14)15-7-10(9)17-13/h6-8,12H,2-5H2,1H3,(H,16,17)
InChIKeyBADQNCZKAYVOIG-UHFFFAOYSA-N
XLogP3.22
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-[1-[(2R)-oxan-2-yl]oxyethyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine
CID 90177734
2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole
CID 166757522
6-chloro-2-(oxan-2-yloxymethyl)-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridine
CID 90177588
6-chloro-2-(oxan-2-yloxymethyl)-1-(1,1,1-trifluoropropan-2-yl)imidazo[4,5-c]pyridine
CID 123687620
2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane
CID 173259383
2-[5-[1-(oxan-2-yloxy)ethyl]-1,2-oxazol-3-yl]propan-2-ol
CID 10355007
S-[4-bromo-3-[1-(oxan-2-yloxy)ethyl]phenyl]thiohydroxylamine
CID 167090366
2-[(1R)-1-(2-bromophenyl)ethoxy]oxane
CID 59069780
N-methyl-6-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]pyridin-3-amine
CID 122498194
5-iodo-3-[(1R)-1-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]propyl]-1,2-oxazole
CID 163591512
3-chloro-5-(oxan-2-yloxy)pyridine
CID 20594224
5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole
CID 166757161

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine (CID 129271140) is 6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine is CC(OC1CCCCO1)c1nc2cc(Cl)ncc2[nH]1.
What is the InChIKey of 6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine?
The InChIKey is BADQNCZKAYVOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-8(19-12-4-2-3-5-18-12)13-16-9-6-11(14)15-7-10(9)17-13/h6-8,12H,2-5H2,1H3,(H,16,17).
What are the key properties of 6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine?
6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 281.74 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-(oxan-2-yloxy)ethyl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 129271140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).