2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine

C11H14ClN3 — CID 63757289

IUPAC2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine
SMILESCn1c(CCCCCl)nc2cccnc21
InChIInChI=1S/C11H14ClN3/c1-15-10(6-2-3-7-12)14-9-5-4-8-13-11(9)15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyCMDGLEJPNDTHQP-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.53
Rot. Bonds4

About 2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine

2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine (PubChem CID 63757289) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine
PubChem CID63757289
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine
SMILESCn1c(CCCCCl)nc2cccnc21
InChIInChI=1S/C11H14ClN3/c1-15-10(6-2-3-7-12)14-9-5-4-8-13-11(9)15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyCMDGLEJPNDTHQP-UHFFFAOYSA-N
XLogP2.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid
CID 63757796
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
2-(fluoromethyl)-3-methylimidazo[4,5-b]pyridine
CID 141030581
N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]propan-2-amine
CID 63756762
N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]cyclopropanamine
CID 63756601
4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid
CID 117166780
2-(2-chloroethyl)-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79294900
2-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237
3-(2-methoxyethyl)-2-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]imidazo[4,5-b]pyridine
CID 20955418
2-methoxy-3-methylimidazo[4,5-b]pyridine
CID 58577407
2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine
CID 103008727
N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopentanamine
CID 63756238

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine (CID 63757289) is 2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine is Cn1c(CCCCCl)nc2cccnc21.
What is the InChIKey of 2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine?
The InChIKey is CMDGLEJPNDTHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-15-10(6-2-3-7-12)14-9-5-4-8-13-11(9)15/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine?
2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine has a molecular weight of 223.71 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 63757289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).