2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine

C15H20ClN3 — CID 79294324

IUPAC2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine
SMILESCCC(CC1CC1)n1c(C(C)Cl)nc2cccnc21
InChIInChI=1S/C15H20ClN3/c1-3-12(9-11-6-7-11)19-14(10(2)16)18-13-5-4-8-17-15(13)19/h4-5,8,10-12H,3,6-7,9H2,1-2H3
InChIKeyWFCQZVWRSQDHCX-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.48
Rot. Bonds5

About 2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine

2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 79294324) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine
PubChem CID79294324
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine
SMILESCCC(CC1CC1)n1c(C(C)Cl)nc2cccnc21
InChIInChI=1S/C15H20ClN3/c1-3-12(9-11-6-7-11)19-14(10(2)16)18-13-5-4-8-17-15(13)19/h4-5,8,10-12H,3,6-7,9H2,1-2H3
InChIKeyWFCQZVWRSQDHCX-UHFFFAOYSA-N
XLogP4.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine (CID 79294324) is 2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine is CCC(CC1CC1)n1c(C(C)Cl)nc2cccnc21.
What is the InChIKey of 2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is WFCQZVWRSQDHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-12(9-11-6-7-11)19-14(10(2)16)18-13-5-4-8-17-15(13)19/h4-5,8,10-12H,3,6-7,9H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 277.80 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).