2-(chloromethyl)-3-(2-ethylhexyl)imidazo[4,5-b]pyridine

C15H22ClN3 — CID 114004330

IUPAC2-(chloromethyl)-3-(2-ethylhexyl)imidazo[4,5-b]pyridine
SMILESCCCCC(CC)Cn1c(CCl)nc2cccnc21
InChIInChI=1S/C15H22ClN3/c1-3-5-7-12(4-2)11-19-14(10-16)18-13-8-6-9-17-15(13)19/h6,8-9,12H,3-5,7,10-11H2,1-2H3
InChIKeyYVPKHCKKRSVRCQ-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.39
Rot. Bonds7

About 2-(chloromethyl)-3-(2-ethylhexyl)imidazo[4,5-b]pyridine

2-(chloromethyl)-3-(2-ethylhexyl)imidazo[4,5-b]pyridine (PubChem CID 114004330) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2-ethylhexyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2-ethylhexyl)imidazo[4,5-b]pyridine
PubChem CID114004330
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-(chloromethyl)-3-(2-ethylhexyl)imidazo[4,5-b]pyridine
SMILESCCCCC(CC)Cn1c(CCl)nc2cccnc21
InChIInChI=1S/C15H22ClN3/c1-3-5-7-12(4-2)11-19-14(10-16)18-13-8-6-9-17-15(13)19/h6,8-9,12H,3-5,7,10-11H2,1-2H3
InChIKeyYVPKHCKKRSVRCQ-UHFFFAOYSA-N
XLogP4.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.39
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

2-(chloromethyl)-3-hexan-2-ylimidazo[4,5-b]pyridine
CID 79294961
2-(chloromethyl)-1-(2-ethylhexyl)-6,7-difluorobenzimidazole
CID 107817185
2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine
CID 107817140
2-(chloromethyl)-1-(2-ethylhexyl)-4-fluorobenzimidazole
CID 107817146
2-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237
2-(chloromethyl)-3-[(3-ethyl-2-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 82741938
2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine
CID 103008727
N-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine
CID 79294605
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71646538
2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190
5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole
CID 107817166

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(2-ethylhexyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(2-ethylhexyl)imidazo[4,5-b]pyridine (CID 114004330) is 2-(chloromethyl)-3-(2-ethylhexyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(2-ethylhexyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(2-ethylhexyl)imidazo[4,5-b]pyridine is CCCCC(CC)Cn1c(CCl)nc2cccnc21.
What is the InChIKey of 2-(chloromethyl)-3-(2-ethylhexyl)imidazo[4,5-b]pyridine?
The InChIKey is YVPKHCKKRSVRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-3-5-7-12(4-2)11-19-14(10-16)18-13-8-6-9-17-15(13)19/h6,8-9,12H,3-5,7,10-11H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3-(2-ethylhexyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(2-ethylhexyl)imidazo[4,5-b]pyridine has a molecular weight of 279.81 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2-ethylhexyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 114004330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).