3-[1-(2-chloroethyl)imidazol-4-yl]pyridine

C10H10ClN3 — CID 22715654

IUPAC3-[1-(2-chloroethyl)imidazol-4-yl]pyridine
SMILESClCCn1cnc(-c2cccnc2)c1
InChIInChI=1S/C10H10ClN3/c11-3-5-14-7-10(13-8-14)9-2-1-4-12-6-9/h1-2,4,6-8H,3,5H2
InChIKeyFTWJCBFYYRAYQI-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.18
Rot. Bonds3

About 3-[1-(2-chloroethyl)imidazol-4-yl]pyridine

3-[1-(2-chloroethyl)imidazol-4-yl]pyridine (PubChem CID 22715654) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 3-[1-(2-chloroethyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[1-(2-chloroethyl)imidazol-4-yl]pyridine
PubChem CID22715654
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name3-[1-(2-chloroethyl)imidazol-4-yl]pyridine
SMILESClCCn1cnc(-c2cccnc2)c1
InChIInChI=1S/C10H10ClN3/c11-3-5-14-7-10(13-8-14)9-2-1-4-12-6-9/h1-2,4,6-8H,3,5H2
InChIKeyFTWJCBFYYRAYQI-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
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

3-(1-butylimidazol-4-yl)pyridine
CID 58668046
4-(4-pyridin-3-ylimidazol-1-yl)butan-1-amine;trihydrochloride
CID 44604268
O-[3-(4-pyridin-3-ylimidazol-1-yl)propyl]hydroxylamine
CID 174376686
3-[1-(5-iodo-5-methylhexyl)imidazol-4-yl]pyridine
CID 139311770
3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine
CID 44604866
methyl 2-(4-pyridin-3-ylimidazol-1-yl)acetate
CID 86591825
3-[1-(3-bromopropyl)imidazol-4-yl]pyridine;1,3-dibromopropane;3-(1H-imidazol-5-yl)pyridine
CID 158732907
2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine
CID 107496057
2-oxo-2-[2-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]isoindol-1-yl]acetaldehyde
CID 174564335
3-(1-tritylimidazol-4-yl)pyridine
CID 90733826
4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine
CID 118822538
1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]urea
CID 21079250

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloroethyl)imidazol-4-yl]pyridine?
The IUPAC name of 3-[1-(2-chloroethyl)imidazol-4-yl]pyridine (CID 22715654) is 3-[1-(2-chloroethyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 3-[1-(2-chloroethyl)imidazol-4-yl]pyridine?
The canonical SMILES for 3-[1-(2-chloroethyl)imidazol-4-yl]pyridine is ClCCn1cnc(-c2cccnc2)c1.
What is the InChIKey of 3-[1-(2-chloroethyl)imidazol-4-yl]pyridine?
The InChIKey is FTWJCBFYYRAYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-3-5-14-7-10(13-8-14)9-2-1-4-12-6-9/h1-2,4,6-8H,3,5H2.
What are the key properties of 3-[1-(2-chloroethyl)imidazol-4-yl]pyridine?
3-[1-(2-chloroethyl)imidazol-4-yl]pyridine has a molecular weight of 207.66 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloroethyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 22715654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).