2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine

C13H12ClN3O — CID 79292889

IUPAC2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine
SMILESCc1ccc(Cn2c(CCl)nc3cnccc32)o1
InChIInChI=1S/C13H12ClN3O/c1-9-2-3-10(18-9)8-17-12-4-5-15-7-11(12)16-13(17)6-14/h2-5,7H,6,8H2,1H3
InChIKeyWQDIPUUEJKBXBN-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.12
Rot. Bonds3

About 2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine

2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine (PubChem CID 79292889) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine
PubChem CID79292889
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine
SMILESCc1ccc(Cn2c(CCl)nc3cnccc32)o1
InChIInChI=1S/C13H12ClN3O/c1-9-2-3-10(18-9)8-17-12-4-5-15-7-11(12)16-13(17)6-14/h2-5,7H,6,8H2,1H3
InChIKeyWQDIPUUEJKBXBN-UHFFFAOYSA-N
XLogP3.12
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine (CID 79292889) is 2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine is Cc1ccc(Cn2c(CCl)nc3cnccc32)o1.
What is the InChIKey of 2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine?
The InChIKey is WQDIPUUEJKBXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-9-2-3-10(18-9)8-17-12-4-5-15-7-11(12)16-13(17)6-14/h2-5,7H,6,8H2,1H3.
What are the key properties of 2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine?
2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine has a molecular weight of 261.71 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).