2-(chloromethyl)-6-(imidazol-1-ylmethyl)pyridine

C10H10ClN3 — CID 86089749

IUPAC2-(chloromethyl)-6-(imidazol-1-ylmethyl)pyridine
SMILESClCc1cccc(Cn2ccnc2)n1
InChIInChI=1S/C10H10ClN3/c11-6-9-2-1-3-10(13-9)7-14-5-4-12-8-14/h1-5,8H,6-7H2
InChIKeyVQNILZJLYPIBHW-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.07
Rot. Bonds3

About 2-(chloromethyl)-6-(imidazol-1-ylmethyl)pyridine

2-(chloromethyl)-6-(imidazol-1-ylmethyl)pyridine (PubChem CID 86089749) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(imidazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(imidazol-1-ylmethyl)pyridine
PubChem CID86089749
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name2-(chloromethyl)-6-(imidazol-1-ylmethyl)pyridine
SMILESClCc1cccc(Cn2ccnc2)n1
InChIInChI=1S/C10H10ClN3/c11-6-9-2-1-3-10(13-9)7-14-5-4-12-8-14/h1-5,8H,6-7H2
InChIKeyVQNILZJLYPIBHW-UHFFFAOYSA-N
XLogP2.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde
CID 71463812
4-(imidazol-1-ylmethyl)pyrimidin-2-amine
CID 130536364
4-(imidazol-1-ylmethyl)-2-phenylpyrimidine
CID 131736320
1-benzylimidazole;chloro hypochlorite;selane
CID 175250503
3-(imidazol-1-ylmethyl)benzene-1,2-diol
CID 11159799
5-fluoro-2-(imidazol-1-ylmethyl)pyridine
CID 126784137
benzaldehyde;1-benzylimidazole
CID 23446402
1,2-bis(chloromethyl)benzene;1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;3H-pyrrole
CID 159097739
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol
CID 74251154
2-chloro-6-(chloromethyl)pyridine
CID 15574440
4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine
CID 131091988

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(imidazol-1-ylmethyl)pyridine?
The IUPAC name of 2-(chloromethyl)-6-(imidazol-1-ylmethyl)pyridine (CID 86089749) is 2-(chloromethyl)-6-(imidazol-1-ylmethyl)pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-(imidazol-1-ylmethyl)pyridine?
The canonical SMILES for 2-(chloromethyl)-6-(imidazol-1-ylmethyl)pyridine is ClCc1cccc(Cn2ccnc2)n1.
What is the InChIKey of 2-(chloromethyl)-6-(imidazol-1-ylmethyl)pyridine?
The InChIKey is VQNILZJLYPIBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-6-9-2-1-3-10(13-9)7-14-5-4-12-8-14/h1-5,8H,6-7H2.
What are the key properties of 2-(chloromethyl)-6-(imidazol-1-ylmethyl)pyridine?
2-(chloromethyl)-6-(imidazol-1-ylmethyl)pyridine has a molecular weight of 207.66 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(imidazol-1-ylmethyl)pyridine is sourced from PubChem (CID 86089749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).