6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine

C15H14BrClN4 — CID 79278437

IUPAC6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
SMILESCc1ccc(Cn2c(C(C)Cl)nc3cc(Br)cnc32)cn1
InChIInChI=1S/C15H14BrClN4/c1-9-3-4-11(6-18-9)8-21-14(10(2)17)20-13-5-12(16)7-19-15(13)21/h3-7,10H,8H2,1-2H3
InChIKeyLBIKKRHSJZVDKP-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.25
Rot. Bonds3

About 6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine

6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine (PubChem CID 79278437) has the molecular formula C15H14BrClN4 and a molecular weight of 365.66 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
PubChem CID79278437
Molecular FormulaC15H14BrClN4
Molecular Weight365.66 g/mol
Exact Mass364.01
IUPAC Name6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
SMILESCc1ccc(Cn2c(C(C)Cl)nc3cc(Br)cnc32)cn1
InChIInChI=1S/C15H14BrClN4/c1-9-3-4-11(6-18-9)8-21-14(10(2)17)20-13-5-12(16)7-19-15(13)21/h3-7,10H,8H2,1-2H3
InChIKeyLBIKKRHSJZVDKP-UHFFFAOYSA-N
XLogP4.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.25
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 6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine (CID 79278437) is 6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine is Cc1ccc(Cn2c(C(C)Cl)nc3cc(Br)cnc32)cn1.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is LBIKKRHSJZVDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN4/c1-9-3-4-11(6-18-9)8-21-14(10(2)17)20-13-5-12(16)7-19-15(13)21/h3-7,10H,8H2,1-2H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine?
6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 365.66 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79278437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).