2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine

C14H19ClN4 — CID 79294526

IUPAC2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCCC(Cn2c(CCl)nc3cccnc32)C1
InChIInChI=1S/C14H19ClN4/c1-18-7-3-4-11(9-18)10-19-13(8-15)17-12-5-2-6-16-14(12)19/h2,5-6,11H,3-4,7-10H2,1H3
InChIKeySBCMFIBYNHBTQR-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.51
Rot. Bonds3

About 2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine

2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 79294526) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID79294526
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCCC(Cn2c(CCl)nc3cccnc32)C1
InChIInChI=1S/C14H19ClN4/c1-18-7-3-4-11(9-18)10-19-13(8-15)17-12-5-2-6-16-14(12)19/h2,5-6,11H,3-4,7-10H2,1H3
InChIKeySBCMFIBYNHBTQR-UHFFFAOYSA-N
XLogP2.51
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine (CID 79294526) is 2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine is CN1CCCC(Cn2c(CCl)nc3cccnc32)C1.
What is the InChIKey of 2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is SBCMFIBYNHBTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-18-7-3-4-11(9-18)10-19-13(8-15)17-12-5-2-6-16-14(12)19/h2,5-6,11H,3-4,7-10H2,1H3.
What are the key properties of 2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 278.79 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).