5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine

C11H11Cl2N3 — CID 114921158

IUPAC5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine
SMILESCc1ncn(-c2cc(CCl)c(Cl)cn2)c1C
InChIInChI=1S/C11H11Cl2N3/c1-7-8(2)16(6-15-7)11-3-9(4-12)10(13)5-14-11/h3,5-6H,4H2,1-2H3
InChIKeyUQMSLPQDNJRXDS-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.28
Rot. Bonds2

About 5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine

5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine (PubChem CID 114921158) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine
PubChem CID114921158
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine
SMILESCc1ncn(-c2cc(CCl)c(Cl)cn2)c1C
InChIInChI=1S/C11H11Cl2N3/c1-7-8(2)16(6-15-7)11-3-9(4-12)10(13)5-14-11/h3,5-6H,4H2,1-2H3
InChIKeyUQMSLPQDNJRXDS-UHFFFAOYSA-N
XLogP3.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.28
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

N-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 114927421
5-chloro-4-(chloromethyl)-2-(4-chloro-3-methylpyrazol-1-yl)pyridine
CID 114921166
5-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine
CID 62350586
5-chloro-4-(chloromethyl)-2-(1,2,4-triazol-1-yl)pyridine
CID 114921142
5-chloro-4-(chloromethyl)-2-(2-propan-2-ylpyrrolidin-1-yl)pyridine
CID 114921090
[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol
CID 114920544
4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 114920871
4-(4,5-dimethylimidazol-1-yl)-6-fluoropyrimidine
CID 115417263
1-[5-chloro-4-(chloromethyl)-2-pyridinyl]-4-methylazepane
CID 114921058
2-(4,5-dimethylimidazol-1-yl)pyridin-4-amine
CID 62352299
5-chloro-4-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine
CID 114921140
1-[2-(bromomethyl)-5-chlorophenyl]-4,5-dimethylimidazole
CID 107086042

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine?
The IUPAC name of 5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine (CID 114921158) is 5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine?
The canonical SMILES for 5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine is Cc1ncn(-c2cc(CCl)c(Cl)cn2)c1C.
What is the InChIKey of 5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine?
The InChIKey is UQMSLPQDNJRXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-7-8(2)16(6-15-7)11-3-9(4-12)10(13)5-14-11/h3,5-6H,4H2,1-2H3.
What are the key properties of 5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine?
5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine has a molecular weight of 256.14 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine is sourced from PubChem (CID 114921158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).