2-(chloromethyl)-1-(1-methylpyrazol-3-yl)imidazo[4,5-c]pyridine

C11H10ClN5 — CID 79778523

IUPAC2-(chloromethyl)-1-(1-methylpyrazol-3-yl)imidazo[4,5-c]pyridine
SMILESCn1ccc(-n2c(CCl)nc3cnccc32)n1
InChIInChI=1S/C11H10ClN5/c1-16-5-3-10(15-16)17-9-2-4-13-7-8(9)14-11(17)6-12/h2-5,7H,6H2,1H3
InChIKeyYCZFIIYWCSQJBX-UHFFFAOYSA-N
MW247.69 g/mol
LogP1.89
Rot. Bonds2

About 2-(chloromethyl)-1-(1-methylpyrazol-3-yl)imidazo[4,5-c]pyridine

2-(chloromethyl)-1-(1-methylpyrazol-3-yl)imidazo[4,5-c]pyridine (PubChem CID 79778523) has the molecular formula C11H10ClN5 and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(1-methylpyrazol-3-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(1-methylpyrazol-3-yl)imidazo[4,5-c]pyridine
PubChem CID79778523
Molecular FormulaC11H10ClN5
Molecular Weight247.69 g/mol
Exact Mass247.06
IUPAC Name2-(chloromethyl)-1-(1-methylpyrazol-3-yl)imidazo[4,5-c]pyridine
SMILESCn1ccc(-n2c(CCl)nc3cnccc32)n1
InChIInChI=1S/C11H10ClN5/c1-16-5-3-10(15-16)17-9-2-4-13-7-8(9)14-11(17)6-12/h2-5,7H,6H2,1H3
InChIKeyYCZFIIYWCSQJBX-UHFFFAOYSA-N
XLogP1.89
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-1-(1-methylpyrazol-3-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(chloromethyl)-1-(1-methylpyrazol-3-yl)imidazo[4,5-c]pyridine (CID 79778523) is 2-(chloromethyl)-1-(1-methylpyrazol-3-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-1-(1-methylpyrazol-3-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-1-(1-methylpyrazol-3-yl)imidazo[4,5-c]pyridine is Cn1ccc(-n2c(CCl)nc3cnccc32)n1.
What is the InChIKey of 2-(chloromethyl)-1-(1-methylpyrazol-3-yl)imidazo[4,5-c]pyridine?
The InChIKey is YCZFIIYWCSQJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5/c1-16-5-3-10(15-16)17-9-2-4-13-7-8(9)14-11(17)6-12/h2-5,7H,6H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(1-methylpyrazol-3-yl)imidazo[4,5-c]pyridine?
2-(chloromethyl)-1-(1-methylpyrazol-3-yl)imidazo[4,5-c]pyridine has a molecular weight of 247.69 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(1-methylpyrazol-3-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79778523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).