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

C14H11ClIN3 — CID 114257731

IUPAC2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1c(I)cccc1-n1c(CCl)nc2cccnc21
InChIInChI=1S/C14H11ClIN3/c1-9-10(16)4-2-6-12(9)19-13(8-15)18-11-5-3-7-17-14(11)19/h2-7H,8H2,1H3
InChIKeyLOQDTVGFSVZDES-UHFFFAOYSA-N
MW383.62 g/mol
LogP4.07
Rot. Bonds2

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

2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine (PubChem CID 114257731) has the molecular formula C14H11ClIN3 and a molecular weight of 383.62 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine
PubChem CID114257731
Molecular FormulaC14H11ClIN3
Molecular Weight383.62 g/mol
Exact Mass382.97
IUPAC Name2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1c(I)cccc1-n1c(CCl)nc2cccnc21
InChIInChI=1S/C14H11ClIN3/c1-9-10(16)4-2-6-12(9)19-13(8-15)18-11-5-3-7-17-14(11)19/h2-7H,8H2,1H3
InChIKeyLOQDTVGFSVZDES-UHFFFAOYSA-N
XLogP4.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.62
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 79295003
2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79289697
[3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
CID 96668761
2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79293048
2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
CID 79289374
3-(2-bromo-5-chlorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 81275001
2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine
CID 79289700
2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79290101
2-(2-chloroethyl)-3-(2-chloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79294784
2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 104727613
3-(3-bromo-2-methylphenyl)-6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107637697
2-(chloromethyl)-1-(2-iodophenyl)benzimidazole
CID 29075912

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine (CID 114257731) is 2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine is Cc1c(I)cccc1-n1c(CCl)nc2cccnc21.
What is the InChIKey of 2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is LOQDTVGFSVZDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClIN3/c1-9-10(16)4-2-6-12(9)19-13(8-15)18-11-5-3-7-17-14(11)19/h2-7H,8H2,1H3.
What are the key properties of 2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 383.62 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 114257731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).