2-chloro-5-[(2-methylimidazol-1-yl)methyl]pyridine

C10H10ClN3 — CID 3835786

IUPAC2-chloro-5-[(2-methylimidazol-1-yl)methyl]pyridine
SMILESCc1nccn1Cc1ccc(Cl)nc1
InChIInChI=1S/C10H10ClN3/c1-8-12-4-5-14(8)7-9-2-3-10(11)13-6-9/h2-6H,7H2,1H3
InChIKeyRHQJHHQYHBXODM-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.29
Rot. Bonds2

About 2-chloro-5-[(2-methylimidazol-1-yl)methyl]pyridine

2-chloro-5-[(2-methylimidazol-1-yl)methyl]pyridine (PubChem CID 3835786) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-chloro-5-[(2-methylimidazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(2-methylimidazol-1-yl)methyl]pyridine
PubChem CID3835786
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name2-chloro-5-[(2-methylimidazol-1-yl)methyl]pyridine
SMILESCc1nccn1Cc1ccc(Cl)nc1
InChIInChI=1S/C10H10ClN3/c1-8-12-4-5-14(8)7-9-2-3-10(11)13-6-9/h2-6H,7H2,1H3
InChIKeyRHQJHHQYHBXODM-UHFFFAOYSA-N
XLogP2.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-methylimidazol-1-yl)methyl]pyridine?
The IUPAC name of 2-chloro-5-[(2-methylimidazol-1-yl)methyl]pyridine (CID 3835786) is 2-chloro-5-[(2-methylimidazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2-chloro-5-[(2-methylimidazol-1-yl)methyl]pyridine?
The canonical SMILES for 2-chloro-5-[(2-methylimidazol-1-yl)methyl]pyridine is Cc1nccn1Cc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[(2-methylimidazol-1-yl)methyl]pyridine?
The InChIKey is RHQJHHQYHBXODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-8-12-4-5-14(8)7-9-2-3-10(11)13-6-9/h2-6H,7H2,1H3.
What are the key properties of 2-chloro-5-[(2-methylimidazol-1-yl)methyl]pyridine?
2-chloro-5-[(2-methylimidazol-1-yl)methyl]pyridine has a molecular weight of 207.66 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-methylimidazol-1-yl)methyl]pyridine is sourced from PubChem (CID 3835786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).