3-(chloromethyl)-2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridine

C11H8Cl2N4 — CID 54909540

IUPAC3-(chloromethyl)-2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridine
SMILESClCc1c(-n2cc(Cl)cn2)nc2ccccn12
InChIInChI=1S/C11H8Cl2N4/c12-5-9-11(17-7-8(13)6-14-17)15-10-3-1-2-4-16(9)10/h1-4,6-7H,5H2
InChIKeyQFLWSZKFCWJRPM-UHFFFAOYSA-N
MW267.12 g/mol
LogP2.91
Rot. Bonds2

About 3-(chloromethyl)-2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridine

3-(chloromethyl)-2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridine (PubChem CID 54909540) has the molecular formula C11H8Cl2N4 and a molecular weight of 267.12 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridine
PubChem CID54909540
Molecular FormulaC11H8Cl2N4
Molecular Weight267.12 g/mol
Exact Mass266.01
IUPAC Name3-(chloromethyl)-2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridine
SMILESClCc1c(-n2cc(Cl)cn2)nc2ccccn12
InChIInChI=1S/C11H8Cl2N4/c12-5-9-11(17-7-8(13)6-14-17)15-10-3-1-2-4-16(9)10/h1-4,6-7H,5H2
InChIKeyQFLWSZKFCWJRPM-UHFFFAOYSA-N
XLogP2.91
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-2-methoxyethanamine
CID 63070945
[2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 54909750
[2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 54909886
1-[2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63815908
3-(bromomethyl)-2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine
CID 107085672
3-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)imidazo[1,2-a]pyridine
CID 62350046
1-[3-(2-aminopropyl)imidazo[1,2-a]pyridin-2-yl]pyrazole-4-carboxamide
CID 64782172
2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 54980142
3-(chloromethyl)-2-(2-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine
CID 54882666
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
3-(chloromethyl)-N,N-dimethylimidazo[1,2-a]pyridin-2-amine
CID 43478139
N-methyl-1-(2-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 43478544

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(chloromethyl)-2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridine (CID 54909540) is 3-(chloromethyl)-2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridine is ClCc1c(-n2cc(Cl)cn2)nc2ccccn12.
What is the InChIKey of 3-(chloromethyl)-2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is QFLWSZKFCWJRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4/c12-5-9-11(17-7-8(13)6-14-17)15-10-3-1-2-4-16(9)10/h1-4,6-7H,5H2.
What are the key properties of 3-(chloromethyl)-2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridine?
3-(chloromethyl)-2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 267.12 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(4-chloropyrazol-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 54909540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).