2-[5-(chloromethyl)-1H-imidazol-2-yl]-5-methylpyridine

C10H10ClN3 — CID 131098050

IUPAC2-[5-(chloromethyl)-1H-imidazol-2-yl]-5-methylpyridine
SMILESCc1ccc(-c2ncc(CCl)[nH]2)nc1
InChIInChI=1S/C10H10ClN3/c1-7-2-3-9(12-5-7)10-13-6-8(4-11)14-10/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKeyWFVNIYNJNPRAJC-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.52
Rot. Bonds2

About 2-[5-(chloromethyl)-1H-imidazol-2-yl]-5-methylpyridine

2-[5-(chloromethyl)-1H-imidazol-2-yl]-5-methylpyridine (PubChem CID 131098050) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-[5-(chloromethyl)-1H-imidazol-2-yl]-5-methylpyridine.

Molecular Properties

Compound Name2-[5-(chloromethyl)-1H-imidazol-2-yl]-5-methylpyridine
PubChem CID131098050
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name2-[5-(chloromethyl)-1H-imidazol-2-yl]-5-methylpyridine
SMILESCc1ccc(-c2ncc(CCl)[nH]2)nc1
InChIInChI=1S/C10H10ClN3/c1-7-2-3-9(12-5-7)10-13-6-8(4-11)14-10/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKeyWFVNIYNJNPRAJC-UHFFFAOYSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 81311951
dichloroosmium;bis(5-methyl-2-(5-methyl-2-pyridinyl)pyridine)
CID 59404466
4-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 81313246
5-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 57361979
1-[2-(5-methyl-2-pyridinyl)-1H-imidazol-5-yl]-2-piperazin-1-ylethanol
CID 70417826
5-bromo-4-hydroxy-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 81311672
5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine
CID 157240275
N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 113398749
5-(chloromethyl)-2-propylsulfanyl-1H-imidazole
CID 86748913
5-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 86125862
2-(2,3-dihydro-1H-tetrazol-5-yl)-5-methylpyridine
CID 144548011
5-methyl-2-[3-methyl-5-(5-methyl-2-pyridinyl)phenyl]pyridine
CID 58637248

Frequently Asked Questions

What is the IUPAC name of 2-[5-(chloromethyl)-1H-imidazol-2-yl]-5-methylpyridine?
The IUPAC name of 2-[5-(chloromethyl)-1H-imidazol-2-yl]-5-methylpyridine (CID 131098050) is 2-[5-(chloromethyl)-1H-imidazol-2-yl]-5-methylpyridine.
What is the SMILES notation for 2-[5-(chloromethyl)-1H-imidazol-2-yl]-5-methylpyridine?
The canonical SMILES for 2-[5-(chloromethyl)-1H-imidazol-2-yl]-5-methylpyridine is Cc1ccc(-c2ncc(CCl)[nH]2)nc1.
What is the InChIKey of 2-[5-(chloromethyl)-1H-imidazol-2-yl]-5-methylpyridine?
The InChIKey is WFVNIYNJNPRAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-7-2-3-9(12-5-7)10-13-6-8(4-11)14-10/h2-3,5-6H,4H2,1H3,(H,13,14).
What are the key properties of 2-[5-(chloromethyl)-1H-imidazol-2-yl]-5-methylpyridine?
2-[5-(chloromethyl)-1H-imidazol-2-yl]-5-methylpyridine has a molecular weight of 207.66 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(chloromethyl)-1H-imidazol-2-yl]-5-methylpyridine is sourced from PubChem (CID 131098050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).