4-chloro-1-ethyl-7-fluoroimidazo[4,5-c]pyridine

C8H7ClFN3 — CID 158168074

IUPAC4-chloro-1-ethyl-7-fluoroimidazo[4,5-c]pyridine
SMILESCCn1cnc2c(Cl)ncc(F)c21
InChIInChI=1S/C8H7ClFN3/c1-2-13-4-12-6-7(13)5(10)3-11-8(6)9/h3-4H,2H2,1H3
InChIKeyNWDMPYYIWAWWGE-UHFFFAOYSA-N
MW199.62 g/mol
LogP2.24
Rot. Bonds1

About 4-chloro-1-ethyl-7-fluoroimidazo[4,5-c]pyridine

4-chloro-1-ethyl-7-fluoroimidazo[4,5-c]pyridine (PubChem CID 158168074) has the molecular formula C8H7ClFN3 and a molecular weight of 199.62 g/mol. Its IUPAC name is 4-chloro-1-ethyl-7-fluoroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-chloro-1-ethyl-7-fluoroimidazo[4,5-c]pyridine
PubChem CID158168074
Molecular FormulaC8H7ClFN3
Molecular Weight199.62 g/mol
Exact Mass199.03
IUPAC Name4-chloro-1-ethyl-7-fluoroimidazo[4,5-c]pyridine
SMILESCCn1cnc2c(Cl)ncc(F)c21
InChIInChI=1S/C8H7ClFN3/c1-2-13-4-12-6-7(13)5(10)3-11-8(6)9/h3-4H,2H2,1H3
InChIKeyNWDMPYYIWAWWGE-UHFFFAOYSA-N
XLogP2.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.62
LogP ≤ 52.24
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-7-fluoroimidazo[4,5-c]pyridine?
The IUPAC name of 4-chloro-1-ethyl-7-fluoroimidazo[4,5-c]pyridine (CID 158168074) is 4-chloro-1-ethyl-7-fluoroimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-chloro-1-ethyl-7-fluoroimidazo[4,5-c]pyridine?
The canonical SMILES for 4-chloro-1-ethyl-7-fluoroimidazo[4,5-c]pyridine is CCn1cnc2c(Cl)ncc(F)c21.
What is the InChIKey of 4-chloro-1-ethyl-7-fluoroimidazo[4,5-c]pyridine?
The InChIKey is NWDMPYYIWAWWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN3/c1-2-13-4-12-6-7(13)5(10)3-11-8(6)9/h3-4H,2H2,1H3.
What are the key properties of 4-chloro-1-ethyl-7-fluoroimidazo[4,5-c]pyridine?
4-chloro-1-ethyl-7-fluoroimidazo[4,5-c]pyridine has a molecular weight of 199.62 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-7-fluoroimidazo[4,5-c]pyridine is sourced from PubChem (CID 158168074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).