6-bromo-2-(chloromethyl)-3-(5-methylhexan-2-yl)imidazo[4,5-b]pyridine

C14H19BrClN3 — CID 79302058

IUPAC6-bromo-2-(chloromethyl)-3-(5-methylhexan-2-yl)imidazo[4,5-b]pyridine
SMILESCC(C)CCC(C)n1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C14H19BrClN3/c1-9(2)4-5-10(3)19-13(7-16)18-12-6-11(15)8-17-14(12)19/h6,8-10H,4-5,7H2,1-3H3
InChIKeyBTVBXGDALLMAFP-UHFFFAOYSA-N
MW344.68 g/mol
LogP4.93
Rot. Bonds5

About 6-bromo-2-(chloromethyl)-3-(5-methylhexan-2-yl)imidazo[4,5-b]pyridine

6-bromo-2-(chloromethyl)-3-(5-methylhexan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 79302058) has the molecular formula C14H19BrClN3 and a molecular weight of 344.68 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-3-(5-methylhexan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-3-(5-methylhexan-2-yl)imidazo[4,5-b]pyridine
PubChem CID79302058
Molecular FormulaC14H19BrClN3
Molecular Weight344.68 g/mol
Exact Mass343.05
IUPAC Name6-bromo-2-(chloromethyl)-3-(5-methylhexan-2-yl)imidazo[4,5-b]pyridine
SMILESCC(C)CCC(C)n1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C14H19BrClN3/c1-9(2)4-5-10(3)19-13(7-16)18-12-6-11(15)8-17-14(12)19/h6,8-10H,4-5,7H2,1-3H3
InChIKeyBTVBXGDALLMAFP-UHFFFAOYSA-N
XLogP4.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79278809
6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79302606
6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 65346159
6-bromo-2-(chloromethyl)-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridine
CID 79280249
6-bromo-2-(chloromethyl)-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79301967
6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 79302094
6-bromo-2-(2-chloroethyl)-3-(1-imidazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79278608
5-bromo-2-(2-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 63926124
3-[1-(4-bromophenyl)ethyl]-2-(chloromethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279285
6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine
CID 79278416
2-(chloromethyl)-3-hexan-2-ylimidazo[4,5-b]pyridine
CID 79294961
6-bromo-2-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine
CID 79302839

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-3-(5-methylhexan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(chloromethyl)-3-(5-methylhexan-2-yl)imidazo[4,5-b]pyridine (CID 79302058) is 6-bromo-2-(chloromethyl)-3-(5-methylhexan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-3-(5-methylhexan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(chloromethyl)-3-(5-methylhexan-2-yl)imidazo[4,5-b]pyridine is CC(C)CCC(C)n1c(CCl)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-2-(chloromethyl)-3-(5-methylhexan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is BTVBXGDALLMAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN3/c1-9(2)4-5-10(3)19-13(7-16)18-12-6-11(15)8-17-14(12)19/h6,8-10H,4-5,7H2,1-3H3.
What are the key properties of 6-bromo-2-(chloromethyl)-3-(5-methylhexan-2-yl)imidazo[4,5-b]pyridine?
6-bromo-2-(chloromethyl)-3-(5-methylhexan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 344.68 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-3-(5-methylhexan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79302058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).