4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine

C10H10ClN3 — CID 114996059

IUPAC4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine
SMILESClC(Cc1ncc[nH]1)c1ccncc1
InChIInChI=1S/C10H10ClN3/c11-9(7-10-13-5-6-14-10)8-1-3-12-4-2-8/h1-6,9H,7H2,(H,13,14)
InChIKeyHDSSNSJUZJHLFA-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.33
Rot. Bonds3

About 4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine

4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine (PubChem CID 114996059) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine
PubChem CID114996059
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine
SMILESClC(Cc1ncc[nH]1)c1ccncc1
InChIInChI=1S/C10H10ClN3/c11-9(7-10-13-5-6-14-10)8-1-3-12-4-2-8/h1-6,9H,7H2,(H,13,14)
InChIKeyHDSSNSJUZJHLFA-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.33
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

2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole
CID 61085033
2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole
CID 61086063
2-[2-chloro-2-(4-methylsulfanylphenyl)ethyl]-1H-imidazole
CID 79217007
2-[2-chloro-2-(4-methoxyphenyl)ethyl]-1H-imidazole
CID 61086262
2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole
CID 61085454
2-[2-chloro-2-(3-chlorophenyl)ethyl]-1H-imidazole
CID 61086064
2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole
CID 103210719
2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole
CID 61085662
2-[2-chloro-2-(3-fluoro-4-methoxyphenyl)ethyl]-1H-imidazole
CID 62920751
2-[2-(4-bromo-2-fluorophenyl)-2-chloroethyl]-1H-imidazole
CID 61084433
2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole
CID 114560589
2-[2-chloro-3-[4-(trifluoromethyl)phenyl]propyl]-1H-imidazole
CID 62116289

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine?
The IUPAC name of 4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine (CID 114996059) is 4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine.
What is the SMILES notation for 4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine?
The canonical SMILES for 4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine is ClC(Cc1ncc[nH]1)c1ccncc1.
What is the InChIKey of 4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine?
The InChIKey is HDSSNSJUZJHLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-9(7-10-13-5-6-14-10)8-1-3-12-4-2-8/h1-6,9H,7H2,(H,13,14).
What are the key properties of 4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine?
4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine has a molecular weight of 207.66 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine is sourced from PubChem (CID 114996059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).