2-(4-chloro-2-methoxyphenyl)-3H-imidazo[4,5-c]pyridine

C13H10ClN3O — CID 13175364

IUPAC2-(4-chloro-2-methoxyphenyl)-3H-imidazo[4,5-c]pyridine
SMILESCOc1cc(Cl)ccc1-c1nc2ccncc2[nH]1
InChIInChI=1S/C13H10ClN3O/c1-18-12-6-8(14)2-3-9(12)13-16-10-4-5-15-7-11(10)17-13/h2-7H,1H3,(H,16,17)
InChIKeyDEAWTTHPBVPCAB-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.29
Rot. Bonds2

About 2-(4-chloro-2-methoxyphenyl)-3H-imidazo[4,5-c]pyridine

2-(4-chloro-2-methoxyphenyl)-3H-imidazo[4,5-c]pyridine (PubChem CID 13175364) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)-3H-imidazo[4,5-c]pyridine
PubChem CID13175364
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name2-(4-chloro-2-methoxyphenyl)-3H-imidazo[4,5-c]pyridine
SMILESCOc1cc(Cl)ccc1-c1nc2ccncc2[nH]1
InChIInChI=1S/C13H10ClN3O/c1-18-12-6-8(14)2-3-9(12)13-16-10-4-5-15-7-11(10)17-13/h2-7H,1H3,(H,16,17)
InChIKeyDEAWTTHPBVPCAB-UHFFFAOYSA-N
XLogP3.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)-3H-imidazo[4,5-c]pyridine (CID 13175364) is 2-(4-chloro-2-methoxyphenyl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)-3H-imidazo[4,5-c]pyridine is COc1cc(Cl)ccc1-c1nc2ccncc2[nH]1.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is DEAWTTHPBVPCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c1-18-12-6-8(14)2-3-9(12)13-16-10-4-5-15-7-11(10)17-13/h2-7H,1H3,(H,16,17).
What are the key properties of 2-(4-chloro-2-methoxyphenyl)-3H-imidazo[4,5-c]pyridine?
2-(4-chloro-2-methoxyphenyl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 259.70 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 13175364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).