2,4,6-trichloro-1-methylimidazo[4,5-c]pyridine

C7H4Cl3N3 — CID 163273649

IUPAC2,4,6-trichloro-1-methylimidazo[4,5-c]pyridine
SMILESCn1c(Cl)nc2c(Cl)nc(Cl)cc21
InChIInChI=1S/C7H4Cl3N3/c1-13-3-2-4(8)11-6(9)5(3)12-7(13)10/h2H,1H3
InChIKeyAZUBONCBPJCPKK-UHFFFAOYSA-N
MW236.49 g/mol
LogP2.93
Rot. Bonds

About 2,4,6-trichloro-1-methylimidazo[4,5-c]pyridine

2,4,6-trichloro-1-methylimidazo[4,5-c]pyridine (PubChem CID 163273649) has the molecular formula C7H4Cl3N3 and a molecular weight of 236.49 g/mol. Its IUPAC name is 2,4,6-trichloro-1-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2,4,6-trichloro-1-methylimidazo[4,5-c]pyridine
PubChem CID163273649
Molecular FormulaC7H4Cl3N3
Molecular Weight236.49 g/mol
Exact Mass234.95
IUPAC Name2,4,6-trichloro-1-methylimidazo[4,5-c]pyridine
SMILESCn1c(Cl)nc2c(Cl)nc(Cl)cc21
InChIInChI=1S/C7H4Cl3N3/c1-13-3-2-4(8)11-6(9)5(3)12-7(13)10/h2H,1H3
InChIKeyAZUBONCBPJCPKK-UHFFFAOYSA-N
XLogP2.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.49
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4,6-dichloro-1,2-dimethylimidazo[4,5-c]pyridine
CID 163273340
(3aS,6aR)-5-(4,6-dichloro-1-methylimidazo[4,5-c]pyridin-2-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 163273404
(1S,4S)-5-(4,6-dichloro-1-methylimidazo[4,5-c]pyridin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 164757852
2,3,6-trichloro-4-(2,3,6-trichloro-4-pyridinyl)pyridine
CID 14044309
2,3,5,7-tetrachloropyrido[3,4-b]pyrazine
CID 121232247
2-chloro-3,7-dimethylimidazo[4,5-f]quinoline
CID 10082640
4-(4,6-dichloro-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 59868395
2-chloro-5-methoxy-1-methylbenzimidazole
CID 45078585
2-chloro-1,4-dimethyl-5-nitrobenzimidazole
CID 168827001
2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole
CID 156865270
1,2,4,6-tetramethylbenzimidazole
CID 58565379
1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone
CID 83834351

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-1-methylimidazo[4,5-c]pyridine?
The IUPAC name of 2,4,6-trichloro-1-methylimidazo[4,5-c]pyridine (CID 163273649) is 2,4,6-trichloro-1-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2,4,6-trichloro-1-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 2,4,6-trichloro-1-methylimidazo[4,5-c]pyridine is Cn1c(Cl)nc2c(Cl)nc(Cl)cc21.
What is the InChIKey of 2,4,6-trichloro-1-methylimidazo[4,5-c]pyridine?
The InChIKey is AZUBONCBPJCPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl3N3/c1-13-3-2-4(8)11-6(9)5(3)12-7(13)10/h2H,1H3.
What are the key properties of 2,4,6-trichloro-1-methylimidazo[4,5-c]pyridine?
2,4,6-trichloro-1-methylimidazo[4,5-c]pyridine has a molecular weight of 236.49 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-1-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 163273649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).