2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine

C15H14ClN3O — CID 79291868

IUPAC2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine
SMILESCOc1ccccc1-n1c(CCCl)nc2cnccc21
InChIInChI=1S/C15H14ClN3O/c1-20-14-5-3-2-4-13(14)19-12-7-9-17-10-11(12)18-15(19)6-8-16/h2-5,7,9-10H,6,8H2,1H3
InChIKeyYFVRWPZABCFCKL-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.21
Rot. Bonds4

About 2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine

2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine (PubChem CID 79291868) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine
PubChem CID79291868
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine
SMILESCOc1ccccc1-n1c(CCCl)nc2cnccc21
InChIInChI=1S/C15H14ClN3O/c1-20-14-5-3-2-4-13(14)19-12-7-9-17-10-11(12)18-15(19)6-8-16/h2-5,7,9-10H,6,8H2,1H3
InChIKeyYFVRWPZABCFCKL-UHFFFAOYSA-N
XLogP3.21
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.21
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-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine (CID 79291868) is 2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine is COc1ccccc1-n1c(CCCl)nc2cnccc21.
What is the InChIKey of 2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine?
The InChIKey is YFVRWPZABCFCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-20-14-5-3-2-4-13(14)19-12-7-9-17-10-11(12)18-15(19)6-8-16/h2-5,7,9-10H,6,8H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine?
2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine has a molecular weight of 287.75 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79291868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).