6-bromo-N-(2,6-dichlorophenyl)-5-methoxy-3-methylimidazo[4,5-b]pyridin-2-amine

C14H11BrCl2N4O — CID 67357231

IUPAC6-bromo-N-(2,6-dichlorophenyl)-5-methoxy-3-methylimidazo[4,5-b]pyridin-2-amine
SMILESCOc1nc2c(cc1Br)nc(Nc1c(Cl)cccc1Cl)n2C
InChIInChI=1S/C14H11BrCl2N4O/c1-21-12-10(6-7(15)13(20-12)22-2)18-14(21)19-11-8(16)4-3-5-9(11)17/h3-6H,1-2H3,(H,18,19)
InChIKeyHLQMVUQEWSKQCV-UHFFFAOYSA-N
MW402.08 g/mol
LogP4.79
Rot. Bonds3

About 6-bromo-N-(2,6-dichlorophenyl)-5-methoxy-3-methylimidazo[4,5-b]pyridin-2-amine

6-bromo-N-(2,6-dichlorophenyl)-5-methoxy-3-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 67357231) has the molecular formula C14H11BrCl2N4O and a molecular weight of 402.08 g/mol. Its IUPAC name is 6-bromo-N-(2,6-dichlorophenyl)-5-methoxy-3-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2,6-dichlorophenyl)-5-methoxy-3-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID67357231
Molecular FormulaC14H11BrCl2N4O
Molecular Weight402.08 g/mol
Exact Mass399.95
IUPAC Name6-bromo-N-(2,6-dichlorophenyl)-5-methoxy-3-methylimidazo[4,5-b]pyridin-2-amine
SMILESCOc1nc2c(cc1Br)nc(Nc1c(Cl)cccc1Cl)n2C
InChIInChI=1S/C14H11BrCl2N4O/c1-21-12-10(6-7(15)13(20-12)22-2)18-14(21)19-11-8(16)4-3-5-9(11)17/h3-6H,1-2H3,(H,18,19)
InChIKeyHLQMVUQEWSKQCV-UHFFFAOYSA-N
XLogP4.79
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.08
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,6-dichlorophenyl)-5-methoxy-3-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-N-(2,6-dichlorophenyl)-5-methoxy-3-methylimidazo[4,5-b]pyridin-2-amine (CID 67357231) is 6-bromo-N-(2,6-dichlorophenyl)-5-methoxy-3-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(2,6-dichlorophenyl)-5-methoxy-3-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(2,6-dichlorophenyl)-5-methoxy-3-methylimidazo[4,5-b]pyridin-2-amine is COc1nc2c(cc1Br)nc(Nc1c(Cl)cccc1Cl)n2C.
What is the InChIKey of 6-bromo-N-(2,6-dichlorophenyl)-5-methoxy-3-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is HLQMVUQEWSKQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N4O/c1-21-12-10(6-7(15)13(20-12)22-2)18-14(21)19-11-8(16)4-3-5-9(11)17/h3-6H,1-2H3,(H,18,19).
What are the key properties of 6-bromo-N-(2,6-dichlorophenyl)-5-methoxy-3-methylimidazo[4,5-b]pyridin-2-amine?
6-bromo-N-(2,6-dichlorophenyl)-5-methoxy-3-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 402.08 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,6-dichlorophenyl)-5-methoxy-3-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 67357231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).