2-(chloromethyl)-3-(2-fluoroethyl)imidazo[4,5-c]pyridine

C9H9ClFN3 — CID 126984980

IUPAC2-(chloromethyl)-3-(2-fluoroethyl)imidazo[4,5-c]pyridine
SMILESFCCn1c(CCl)nc2ccncc21
InChIInChI=1S/C9H9ClFN3/c10-5-9-13-7-1-3-12-6-8(7)14(9)4-2-11/h1,3,6H,2,4-5H2
InChIKeyWCCYSJIXIJTEMX-UHFFFAOYSA-N
MW213.64 g/mol
LogP2.14
Rot. Bonds3

About 2-(chloromethyl)-3-(2-fluoroethyl)imidazo[4,5-c]pyridine

2-(chloromethyl)-3-(2-fluoroethyl)imidazo[4,5-c]pyridine (PubChem CID 126984980) has the molecular formula C9H9ClFN3 and a molecular weight of 213.64 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2-fluoroethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2-fluoroethyl)imidazo[4,5-c]pyridine
PubChem CID126984980
Molecular FormulaC9H9ClFN3
Molecular Weight213.64 g/mol
Exact Mass213.05
IUPAC Name2-(chloromethyl)-3-(2-fluoroethyl)imidazo[4,5-c]pyridine
SMILESFCCn1c(CCl)nc2ccncc21
InChIInChI=1S/C9H9ClFN3/c10-5-9-13-7-1-3-12-6-8(7)14(9)4-2-11/h1,3,6H,2,4-5H2
InChIKeyWCCYSJIXIJTEMX-UHFFFAOYSA-N
XLogP2.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 52.14
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

2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine
CID 79292139
3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine
CID 130597335
2-(chloromethyl)-5-fluoro-1-(4-fluorobutyl)benzimidazole
CID 90307136
5-chloro-2-(chloromethyl)-1-(4-fluorobutyl)benzimidazole
CID 67992653
4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine
CID 18694804
methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate
CID 79292098
2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine
CID 79273930
2-(chloromethyl)-1-[2-(3-methylbutoxy)ethyl]imidazo[4,5-c]pyridine
CID 79292464
2-(chloromethyl)-6-fluoro-1-propylbenzimidazole
CID 62378241
2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole
CID 63226848
2-(chloromethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole
CID 62375839
2-(chloromethyl)-1-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine
CID 83018792

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(2-fluoroethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(2-fluoroethyl)imidazo[4,5-c]pyridine (CID 126984980) is 2-(chloromethyl)-3-(2-fluoroethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(2-fluoroethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(2-fluoroethyl)imidazo[4,5-c]pyridine is FCCn1c(CCl)nc2ccncc21.
What is the InChIKey of 2-(chloromethyl)-3-(2-fluoroethyl)imidazo[4,5-c]pyridine?
The InChIKey is WCCYSJIXIJTEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN3/c10-5-9-13-7-1-3-12-6-8(7)14(9)4-2-11/h1,3,6H,2,4-5H2.
What are the key properties of 2-(chloromethyl)-3-(2-fluoroethyl)imidazo[4,5-c]pyridine?
2-(chloromethyl)-3-(2-fluoroethyl)imidazo[4,5-c]pyridine has a molecular weight of 213.64 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2-fluoroethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 126984980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).